USER MOD reduce.3.24.130724 H: found=0, std=0, add=539, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 534 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 36 SER OG : rot 180:sc= -0.0528 USER MOD Set 1.2: A 43 LYS NZ :NH3+ -140:sc= 1.39 (180deg=0.884) USER MOD Set 2.1: A 28 LYS NZ :NH3+ 146:sc= 1.41 (180deg=1.12) USER MOD Set 2.2: A 29 HIS : no HE2:sc= 0.217 K(o=2.8,f=-7.2!) USER MOD Set 2.3: A 61 THR OG1 : rot 72:sc= 1.16 USER MOD Set 3.1: A 15 CYS SG : rot 180:sc= -0.284 USER MOD Set 3.2: A 17 SER OG : rot 180:sc= 0.00462 USER MOD Set 3.3: A 18 CYS SG : rot -103:sc= 0.131 USER MOD Single : A 13 MET CE :methyl 160:sc= -1.23 (180deg=-2.2) USER MOD Single : A 14 THR OG1 : rot -21:sc= 0.502 USER MOD Single : A 20 HIS : no HD1:sc= -0.477 X(o=-0.48,f=-0.063) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot -36:sc= 0.976 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 CYS SG : rot -172:sc= 0.0571 USER MOD Single : A 41 THR OG1 : rot -160:sc= 0.0933 USER MOD Single : A 42 ASN : amide:sc= 1.59 K(o=1.6,f=-6.9!) USER MOD Single : A 45 HIS : no HE2:sc= -0.61 K(o=-0.61,f=-1.7) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HD1:sc= -0.408 X(o=-0.41,f=-0.79) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot -81:sc= 1.22 USER MOD ----------------------------------------------------------------- ATOM 39 N GLY A 4 -5.222 -12.261 -2.130 1.00 1.53 N ATOM 40 CA GLY A 4 -4.195 -12.174 -1.114 1.00 1.52 C ATOM 41 C GLY A 4 -4.500 -11.021 -0.164 1.00 1.48 C ATOM 42 O GLY A 4 -5.453 -10.266 -0.368 1.00 2.10 O ATOM 0 HA2 GLY A 4 -4.141 -13.110 -0.558 1.00 1.52 H new ATOM 0 HA3 GLY A 4 -3.221 -12.024 -1.581 1.00 1.52 H new ATOM 46 N VAL A 5 -3.683 -10.894 0.884 1.00 1.00 N ATOM 47 CA VAL A 5 -3.663 -9.760 1.794 1.00 0.86 C ATOM 48 C VAL A 5 -2.197 -9.391 2.017 1.00 0.91 C ATOM 49 O VAL A 5 -1.379 -10.272 2.277 1.00 1.33 O ATOM 50 CB VAL A 5 -4.400 -10.081 3.110 1.00 0.93 C ATOM 51 CG1 VAL A 5 -5.895 -10.318 2.859 1.00 2.34 C ATOM 52 CG2 VAL A 5 -3.832 -11.295 3.861 1.00 2.24 C ATOM 0 H VAL A 5 -2.995 -11.607 1.126 1.00 1.00 H new ATOM 0 HA VAL A 5 -4.196 -8.910 1.369 1.00 0.86 H new ATOM 0 HB VAL A 5 -4.249 -9.204 3.739 1.00 0.93 H new ATOM 0 HG11 VAL A 5 -6.391 -10.542 3.803 1.00 2.34 H new ATOM 0 HG12 VAL A 5 -6.337 -9.423 2.421 1.00 2.34 H new ATOM 0 HG13 VAL A 5 -6.021 -11.157 2.175 1.00 2.34 H new ATOM 0 HG21 VAL A 5 -4.403 -11.457 4.775 1.00 2.24 H new ATOM 0 HG22 VAL A 5 -3.902 -12.180 3.228 1.00 2.24 H new ATOM 0 HG23 VAL A 5 -2.788 -11.111 4.113 1.00 2.24 H new ATOM 62 N LEU A 6 -1.859 -8.109 1.876 1.00 0.81 N ATOM 63 CA LEU A 6 -0.549 -7.556 2.164 1.00 0.92 C ATOM 64 C LEU A 6 -0.753 -6.421 3.160 1.00 0.79 C ATOM 65 O LEU A 6 -1.719 -5.666 3.041 1.00 1.17 O ATOM 66 CB LEU A 6 0.106 -7.055 0.870 1.00 1.09 C ATOM 67 CG LEU A 6 1.556 -6.584 1.064 1.00 1.27 C ATOM 68 CD1 LEU A 6 2.506 -7.757 1.333 1.00 1.87 C ATOM 69 CD2 LEU A 6 2.006 -5.839 -0.196 1.00 2.53 C ATOM 0 H LEU A 6 -2.520 -7.406 1.545 1.00 0.81 H new ATOM 0 HA LEU A 6 0.116 -8.309 2.587 1.00 0.92 H new ATOM 0 HB2 LEU A 6 0.087 -7.854 0.129 1.00 1.09 H new ATOM 0 HB3 LEU A 6 -0.485 -6.232 0.467 1.00 1.09 H new ATOM 0 HG LEU A 6 1.590 -5.927 1.933 1.00 1.27 H new ATOM 0 HD11 LEU A 6 3.521 -7.381 1.464 1.00 1.87 H new ATOM 0 HD12 LEU A 6 2.193 -8.279 2.237 1.00 1.87 H new ATOM 0 HD13 LEU A 6 2.481 -8.446 0.489 1.00 1.87 H new ATOM 0 HD21 LEU A 6 3.034 -5.500 -0.070 1.00 2.53 H new ATOM 0 HD22 LEU A 6 1.947 -6.508 -1.055 1.00 2.53 H new ATOM 0 HD23 LEU A 6 1.358 -4.979 -0.361 1.00 2.53 H new ATOM 81 N GLU A 7 0.148 -6.326 4.139 1.00 0.99 N ATOM 82 CA GLU A 7 0.172 -5.272 5.132 1.00 0.96 C ATOM 83 C GLU A 7 1.600 -4.774 5.239 1.00 1.02 C ATOM 84 O GLU A 7 2.537 -5.560 5.086 1.00 1.73 O ATOM 85 CB GLU A 7 -0.384 -5.781 6.469 1.00 1.22 C ATOM 86 CG GLU A 7 -1.431 -4.795 6.994 1.00 1.34 C ATOM 87 CD GLU A 7 -0.811 -3.495 7.481 1.00 3.00 C ATOM 88 OE1 GLU A 7 -0.549 -2.630 6.616 1.00 4.39 O ATOM 89 OE2 GLU A 7 -0.611 -3.389 8.707 1.00 3.66 O ATOM 0 H GLU A 7 0.900 -7.005 4.259 1.00 0.99 H new ATOM 0 HA GLU A 7 -0.469 -4.440 4.841 1.00 0.96 H new ATOM 0 HB2 GLU A 7 -0.830 -6.767 6.338 1.00 1.22 H new ATOM 0 HB3 GLU A 7 0.423 -5.891 7.193 1.00 1.22 H new ATOM 0 HG2 GLU A 7 -2.150 -4.578 6.204 1.00 1.34 H new ATOM 0 HG3 GLU A 7 -1.985 -5.258 7.810 1.00 1.34 H new ATOM 96 N LEU A 8 1.746 -3.468 5.437 1.00 0.73 N ATOM 97 CA LEU A 8 3.018 -2.816 5.628 1.00 0.76 C ATOM 98 C LEU A 8 2.795 -1.506 6.374 1.00 0.68 C ATOM 99 O LEU A 8 1.755 -0.866 6.231 1.00 0.71 O ATOM 100 CB LEU A 8 3.815 -2.705 4.306 1.00 0.97 C ATOM 101 CG LEU A 8 3.248 -1.968 3.082 1.00 0.96 C ATOM 102 CD1 LEU A 8 2.008 -2.627 2.474 1.00 1.73 C ATOM 103 CD2 LEU A 8 3.016 -0.482 3.334 1.00 2.80 C ATOM 0 H LEU A 8 0.955 -2.824 5.468 1.00 0.73 H new ATOM 0 HA LEU A 8 3.668 -3.423 6.258 1.00 0.76 H new ATOM 0 HB2 LEU A 8 4.765 -2.230 4.549 1.00 0.97 H new ATOM 0 HB3 LEU A 8 4.040 -3.722 3.986 1.00 0.97 H new ATOM 0 HG LEU A 8 4.036 -2.053 2.333 1.00 0.96 H new ATOM 0 HD11 LEU A 8 1.671 -2.046 1.616 1.00 1.73 H new ATOM 0 HD12 LEU A 8 2.254 -3.639 2.153 1.00 1.73 H new ATOM 0 HD13 LEU A 8 1.214 -2.666 3.220 1.00 1.73 H new ATOM 0 HD21 LEU A 8 2.615 -0.018 2.433 1.00 2.80 H new ATOM 0 HD22 LEU A 8 2.306 -0.358 4.152 1.00 2.80 H new ATOM 0 HD23 LEU A 8 3.960 -0.006 3.598 1.00 2.80 H new ATOM 115 N VAL A 9 3.781 -1.079 7.156 1.00 0.66 N ATOM 116 CA VAL A 9 3.801 0.238 7.734 1.00 0.62 C ATOM 117 C VAL A 9 4.225 1.142 6.587 1.00 0.60 C ATOM 118 O VAL A 9 5.359 1.052 6.122 1.00 0.97 O ATOM 119 CB VAL A 9 4.809 0.243 8.899 1.00 0.67 C ATOM 120 CG1 VAL A 9 5.409 1.623 9.138 1.00 0.74 C ATOM 121 CG2 VAL A 9 4.120 -0.188 10.190 1.00 0.80 C ATOM 0 H VAL A 9 4.590 -1.650 7.402 1.00 0.66 H new ATOM 0 HA VAL A 9 2.848 0.568 8.148 1.00 0.62 H new ATOM 0 HB VAL A 9 5.604 -0.449 8.623 1.00 0.67 H new ATOM 0 HG11 VAL A 9 6.113 1.575 9.969 1.00 0.74 H new ATOM 0 HG12 VAL A 9 5.930 1.954 8.240 1.00 0.74 H new ATOM 0 HG13 VAL A 9 4.614 2.329 9.377 1.00 0.74 H new ATOM 0 HG21 VAL A 9 4.841 -0.181 11.007 1.00 0.80 H new ATOM 0 HG22 VAL A 9 3.308 0.503 10.417 1.00 0.80 H new ATOM 0 HG23 VAL A 9 3.718 -1.194 10.070 1.00 0.80 H new ATOM 131 N VAL A 10 3.314 1.998 6.126 1.00 0.51 N ATOM 132 CA VAL A 10 3.694 3.137 5.310 1.00 0.50 C ATOM 133 C VAL A 10 4.233 4.207 6.254 1.00 0.62 C ATOM 134 O VAL A 10 3.716 4.373 7.361 1.00 1.21 O ATOM 135 CB VAL A 10 2.514 3.702 4.501 1.00 0.71 C ATOM 136 CG1 VAL A 10 2.302 2.946 3.192 1.00 1.82 C ATOM 137 CG2 VAL A 10 1.213 3.722 5.307 1.00 2.66 C ATOM 0 H VAL A 10 2.313 1.920 6.306 1.00 0.51 H new ATOM 0 HA VAL A 10 4.443 2.822 4.584 1.00 0.50 H new ATOM 0 HB VAL A 10 2.783 4.732 4.265 1.00 0.71 H new ATOM 0 HG11 VAL A 10 1.459 3.379 2.654 1.00 1.82 H new ATOM 0 HG12 VAL A 10 3.200 3.021 2.579 1.00 1.82 H new ATOM 0 HG13 VAL A 10 2.095 1.898 3.407 1.00 1.82 H new ATOM 0 HG21 VAL A 10 0.410 4.129 4.692 1.00 2.66 H new ATOM 0 HG22 VAL A 10 0.958 2.707 5.611 1.00 2.66 H new ATOM 0 HG23 VAL A 10 1.343 4.344 6.192 1.00 2.66 H new ATOM 147 N ARG A 11 5.265 4.930 5.819 1.00 0.56 N ATOM 148 CA ARG A 11 5.721 6.149 6.482 1.00 0.65 C ATOM 149 C ARG A 11 5.907 7.254 5.436 1.00 0.62 C ATOM 150 O ARG A 11 5.889 6.981 4.238 1.00 1.03 O ATOM 151 CB ARG A 11 6.986 5.918 7.326 1.00 0.81 C ATOM 152 CG ARG A 11 7.085 4.522 7.962 1.00 1.32 C ATOM 153 CD ARG A 11 7.638 4.571 9.385 1.00 1.90 C ATOM 154 NE ARG A 11 6.609 5.066 10.318 1.00 3.25 N ATOM 155 CZ ARG A 11 6.783 5.233 11.635 1.00 4.56 C ATOM 156 NH1 ARG A 11 7.969 4.967 12.193 1.00 4.85 N ATOM 157 NH2 ARG A 11 5.761 5.665 12.378 1.00 6.10 N ATOM 0 H ARG A 11 5.810 4.684 4.993 1.00 0.56 H new ATOM 0 HA ARG A 11 4.958 6.468 7.192 1.00 0.65 H new ATOM 0 HB2 ARG A 11 7.861 6.079 6.697 1.00 0.81 H new ATOM 0 HB3 ARG A 11 7.021 6.667 8.117 1.00 0.81 H new ATOM 0 HG2 ARG A 11 6.098 4.060 7.974 1.00 1.32 H new ATOM 0 HG3 ARG A 11 7.726 3.890 7.347 1.00 1.32 H new ATOM 0 HD2 ARG A 11 7.966 3.577 9.689 1.00 1.90 H new ATOM 0 HD3 ARG A 11 8.513 5.220 9.420 1.00 1.90 H new ATOM 0 HE ARG A 11 5.695 5.299 9.930 1.00 3.25 H new ATOM 0 HH11 ARG A 11 8.742 4.637 11.615 1.00 4.85 H new ATOM 0 HH12 ARG A 11 8.101 5.095 13.196 1.00 4.85 H new ATOM 0 HH21 ARG A 11 4.861 5.864 11.941 1.00 6.10 H new ATOM 0 HH22 ARG A 11 5.880 5.796 13.382 1.00 6.10 H new ATOM 171 N GLY A 12 6.043 8.511 5.869 1.00 0.73 N ATOM 172 CA GLY A 12 6.212 9.649 4.968 1.00 0.81 C ATOM 173 C GLY A 12 4.871 10.265 4.553 1.00 0.86 C ATOM 174 O GLY A 12 4.761 11.484 4.449 1.00 1.13 O ATOM 0 H GLY A 12 6.039 8.766 6.857 1.00 0.73 H new ATOM 0 HA2 GLY A 12 6.823 10.408 5.456 1.00 0.81 H new ATOM 0 HA3 GLY A 12 6.753 9.328 4.078 1.00 0.81 H new ATOM 178 N MET A 13 3.859 9.425 4.318 1.00 1.04 N ATOM 179 CA MET A 13 2.488 9.819 3.994 1.00 1.12 C ATOM 180 C MET A 13 1.852 10.667 5.115 1.00 0.98 C ATOM 181 O MET A 13 1.072 10.194 5.937 1.00 1.35 O ATOM 182 CB MET A 13 1.677 8.581 3.553 1.00 1.65 C ATOM 183 CG MET A 13 1.199 7.622 4.651 1.00 0.83 C ATOM 184 SD MET A 13 2.460 7.038 5.805 1.00 2.99 S ATOM 185 CE MET A 13 1.447 6.777 7.262 1.00 2.61 C ATOM 0 H MET A 13 3.979 8.413 4.350 1.00 1.04 H new ATOM 0 HA MET A 13 2.488 10.493 3.137 1.00 1.12 H new ATOM 0 HB2 MET A 13 0.801 8.930 3.006 1.00 1.65 H new ATOM 0 HB3 MET A 13 2.286 8.012 2.851 1.00 1.65 H new ATOM 0 HG2 MET A 13 0.415 8.119 5.223 1.00 0.83 H new ATOM 0 HG3 MET A 13 0.743 6.754 4.174 1.00 0.83 H new ATOM 0 HE1 MET A 13 1.960 6.101 7.946 1.00 2.61 H new ATOM 0 HE2 MET A 13 1.272 7.731 7.759 1.00 2.61 H new ATOM 0 HE3 MET A 13 0.493 6.340 6.968 1.00 2.61 H new ATOM 195 N THR A 14 2.226 11.942 5.177 1.00 0.75 N ATOM 196 CA THR A 14 2.041 12.757 6.367 1.00 0.80 C ATOM 197 C THR A 14 0.600 13.207 6.628 1.00 0.81 C ATOM 198 O THR A 14 0.345 13.674 7.739 1.00 1.08 O ATOM 199 CB THR A 14 3.011 13.951 6.342 1.00 0.85 C ATOM 200 OG1 THR A 14 2.988 14.617 7.591 1.00 1.58 O ATOM 201 CG2 THR A 14 2.696 14.954 5.227 1.00 0.97 C ATOM 0 H THR A 14 2.666 12.437 4.401 1.00 0.75 H new ATOM 0 HA THR A 14 2.274 12.109 7.212 1.00 0.80 H new ATOM 0 HB THR A 14 4.003 13.545 6.143 1.00 0.85 H new ATOM 0 HG1 THR A 14 2.158 14.398 8.063 1.00 1.58 H new ATOM 0 HG21 THR A 14 3.414 15.773 5.261 1.00 0.97 H new ATOM 0 HG22 THR A 14 2.760 14.455 4.260 1.00 0.97 H new ATOM 0 HG23 THR A 14 1.689 15.348 5.366 1.00 0.97 H new ATOM 209 N CYS A 15 -0.318 13.154 5.654 1.00 0.64 N ATOM 210 CA CYS A 15 -1.647 13.731 5.830 1.00 0.61 C ATOM 211 C CYS A 15 -2.662 13.119 4.866 1.00 0.50 C ATOM 212 O CYS A 15 -2.309 12.321 3.995 1.00 0.49 O ATOM 213 CB CYS A 15 -1.566 15.255 5.653 1.00 0.65 C ATOM 214 SG CYS A 15 -1.239 15.796 3.957 1.00 0.62 S ATOM 0 H CYS A 15 -0.162 12.720 4.744 1.00 0.64 H new ATOM 0 HA CYS A 15 -1.995 13.503 6.838 1.00 0.61 H new ATOM 0 HB2 CYS A 15 -2.504 15.698 5.988 1.00 0.65 H new ATOM 0 HB3 CYS A 15 -0.781 15.643 6.302 1.00 0.65 H new ATOM 0 HG CYS A 15 -1.193 17.095 3.917 1.00 0.62 H new ATOM 219 N ALA A 16 -3.923 13.540 5.012 1.00 0.48 N ATOM 220 CA ALA A 16 -5.042 13.164 4.154 1.00 0.50 C ATOM 221 C ALA A 16 -4.658 13.226 2.673 1.00 0.48 C ATOM 222 O ALA A 16 -4.953 12.307 1.907 1.00 0.54 O ATOM 223 CB ALA A 16 -6.230 14.088 4.435 1.00 0.61 C ATOM 0 H ALA A 16 -4.198 14.176 5.761 1.00 0.48 H new ATOM 0 HA ALA A 16 -5.318 12.134 4.378 1.00 0.50 H new ATOM 0 HB1 ALA A 16 -7.067 13.809 3.795 1.00 0.61 H new ATOM 0 HB2 ALA A 16 -6.525 13.994 5.480 1.00 0.61 H new ATOM 0 HB3 ALA A 16 -5.945 15.120 4.230 1.00 0.61 H new ATOM 229 N SER A 17 -3.998 14.317 2.278 1.00 0.47 N ATOM 230 CA SER A 17 -3.565 14.545 0.912 1.00 0.53 C ATOM 231 C SER A 17 -2.569 13.486 0.435 1.00 0.57 C ATOM 232 O SER A 17 -2.523 13.199 -0.759 1.00 0.78 O ATOM 233 CB SER A 17 -2.988 15.957 0.794 1.00 0.62 C ATOM 234 OG SER A 17 -3.876 16.874 1.406 1.00 1.53 O ATOM 0 H SER A 17 -3.749 15.074 2.914 1.00 0.47 H new ATOM 0 HA SER A 17 -4.431 14.458 0.256 1.00 0.53 H new ATOM 0 HB2 SER A 17 -2.010 16.005 1.273 1.00 0.62 H new ATOM 0 HB3 SER A 17 -2.843 16.217 -0.254 1.00 0.62 H new ATOM 0 HG SER A 17 -3.510 17.780 1.335 1.00 1.53 H new ATOM 240 N CYS A 18 -1.754 12.919 1.328 1.00 0.46 N ATOM 241 CA CYS A 18 -0.994 11.721 1.007 1.00 0.46 C ATOM 242 C CYS A 18 -1.919 10.503 0.953 1.00 0.45 C ATOM 243 O CYS A 18 -1.971 9.809 -0.059 1.00 0.54 O ATOM 244 CB CYS A 18 0.156 11.531 1.995 1.00 0.52 C ATOM 245 SG CYS A 18 1.298 12.934 2.099 1.00 0.64 S ATOM 0 H CYS A 18 -1.608 13.273 2.273 1.00 0.46 H new ATOM 0 HA CYS A 18 -0.549 11.836 0.018 1.00 0.46 H new ATOM 0 HB2 CYS A 18 -0.260 11.343 2.985 1.00 0.52 H new ATOM 0 HB3 CYS A 18 0.718 10.641 1.711 1.00 0.52 H new ATOM 0 HG CYS A 18 2.386 12.657 1.444 1.00 0.64 H new ATOM 250 N VAL A 19 -2.639 10.244 2.048 1.00 0.44 N ATOM 251 CA VAL A 19 -3.514 9.081 2.212 1.00 0.48 C ATOM 252 C VAL A 19 -4.335 8.816 0.945 1.00 0.46 C ATOM 253 O VAL A 19 -4.197 7.762 0.321 1.00 0.46 O ATOM 254 CB VAL A 19 -4.393 9.285 3.463 1.00 0.58 C ATOM 255 CG1 VAL A 19 -5.615 8.359 3.551 1.00 0.81 C ATOM 256 CG2 VAL A 19 -3.550 9.122 4.734 1.00 0.65 C ATOM 0 H VAL A 19 -2.629 10.853 2.866 1.00 0.44 H new ATOM 0 HA VAL A 19 -2.911 8.186 2.363 1.00 0.48 H new ATOM 0 HB VAL A 19 -4.783 10.299 3.373 1.00 0.58 H new ATOM 0 HG11 VAL A 19 -6.171 8.576 4.463 1.00 0.81 H new ATOM 0 HG12 VAL A 19 -6.258 8.522 2.686 1.00 0.81 H new ATOM 0 HG13 VAL A 19 -5.284 7.321 3.566 1.00 0.81 H new ATOM 0 HG21 VAL A 19 -4.181 9.268 5.611 1.00 0.65 H new ATOM 0 HG22 VAL A 19 -3.120 8.121 4.759 1.00 0.65 H new ATOM 0 HG23 VAL A 19 -2.749 9.861 4.736 1.00 0.65 H new ATOM 266 N HIS A 20 -5.181 9.770 0.545 1.00 0.48 N ATOM 267 CA HIS A 20 -6.080 9.525 -0.575 1.00 0.53 C ATOM 268 C HIS A 20 -5.315 9.398 -1.899 1.00 0.48 C ATOM 269 O HIS A 20 -5.765 8.698 -2.803 1.00 0.51 O ATOM 270 CB HIS A 20 -7.227 10.545 -0.623 1.00 0.65 C ATOM 271 CG HIS A 20 -6.927 11.861 -1.298 1.00 0.63 C ATOM 272 ND1 HIS A 20 -7.779 12.543 -2.137 1.00 0.74 N ATOM 273 CD2 HIS A 20 -5.777 12.594 -1.198 1.00 0.70 C ATOM 274 CE1 HIS A 20 -7.147 13.660 -2.534 1.00 0.78 C ATOM 275 NE2 HIS A 20 -5.923 13.737 -1.989 1.00 0.83 N ATOM 0 H HIS A 20 -5.259 10.694 0.970 1.00 0.48 H new ATOM 0 HA HIS A 20 -6.556 8.558 -0.413 1.00 0.53 H new ATOM 0 HB2 HIS A 20 -8.073 10.084 -1.133 1.00 0.65 H new ATOM 0 HB3 HIS A 20 -7.545 10.750 0.399 1.00 0.65 H new ATOM 0 HD2 HIS A 20 -4.908 12.335 -0.611 1.00 0.70 H new ATOM 0 HE1 HIS A 20 -7.567 14.397 -3.202 1.00 0.78 H new ATOM 0 HE2 HIS A 20 -5.237 14.480 -2.125 1.00 0.83 H new ATOM 283 N LYS A 21 -4.153 10.051 -2.020 1.00 0.46 N ATOM 284 CA LYS A 21 -3.303 9.952 -3.196 1.00 0.48 C ATOM 285 C LYS A 21 -2.798 8.515 -3.303 1.00 0.43 C ATOM 286 O LYS A 21 -2.896 7.902 -4.366 1.00 0.49 O ATOM 287 CB LYS A 21 -2.161 10.973 -3.085 1.00 0.55 C ATOM 288 CG LYS A 21 -1.239 11.058 -4.310 1.00 0.67 C ATOM 289 CD LYS A 21 0.132 11.641 -3.919 1.00 1.11 C ATOM 290 CE LYS A 21 0.024 13.036 -3.278 1.00 2.00 C ATOM 291 NZ LYS A 21 1.331 13.542 -2.811 1.00 2.84 N ATOM 0 H LYS A 21 -3.780 10.665 -1.296 1.00 0.46 H new ATOM 0 HA LYS A 21 -3.854 10.186 -4.107 1.00 0.48 H new ATOM 0 HB2 LYS A 21 -2.592 11.958 -2.905 1.00 0.55 H new ATOM 0 HB3 LYS A 21 -1.557 10.725 -2.212 1.00 0.55 H new ATOM 0 HG2 LYS A 21 -1.108 10.066 -4.743 1.00 0.67 H new ATOM 0 HG3 LYS A 21 -1.700 11.682 -5.076 1.00 0.67 H new ATOM 0 HD2 LYS A 21 0.625 10.963 -3.222 1.00 1.11 H new ATOM 0 HD3 LYS A 21 0.763 11.701 -4.806 1.00 1.11 H new ATOM 0 HE2 LYS A 21 -0.396 13.734 -4.002 1.00 2.00 H new ATOM 0 HE3 LYS A 21 -0.668 12.994 -2.437 1.00 2.00 H new ATOM 0 HZ1 LYS A 21 1.207 14.484 -2.387 1.00 2.84 H new ATOM 0 HZ2 LYS A 21 1.721 12.891 -2.100 1.00 2.84 H new ATOM 0 HZ3 LYS A 21 1.986 13.608 -3.616 1.00 2.84 H new ATOM 305 N ILE A 22 -2.284 7.962 -2.198 1.00 0.38 N ATOM 306 CA ILE A 22 -1.903 6.559 -2.152 1.00 0.38 C ATOM 307 C ILE A 22 -3.099 5.714 -2.585 1.00 0.42 C ATOM 308 O ILE A 22 -3.031 5.063 -3.627 1.00 0.49 O ATOM 309 CB ILE A 22 -1.344 6.163 -0.772 1.00 0.41 C ATOM 310 CG1 ILE A 22 -0.039 6.935 -0.527 1.00 0.44 C ATOM 311 CG2 ILE A 22 -1.080 4.651 -0.701 1.00 0.52 C ATOM 312 CD1 ILE A 22 0.649 6.531 0.774 1.00 0.69 C ATOM 0 H ILE A 22 -2.125 8.470 -1.328 1.00 0.38 H new ATOM 0 HA ILE A 22 -1.085 6.374 -2.848 1.00 0.38 H new ATOM 0 HB ILE A 22 -2.077 6.413 -0.005 1.00 0.41 H new ATOM 0 HG12 ILE A 22 0.641 6.764 -1.361 1.00 0.44 H new ATOM 0 HG13 ILE A 22 -0.253 8.004 -0.504 1.00 0.44 H new ATOM 0 HG21 ILE A 22 -0.686 4.396 0.283 1.00 0.52 H new ATOM 0 HG22 ILE A 22 -2.012 4.111 -0.870 1.00 0.52 H new ATOM 0 HG23 ILE A 22 -0.355 4.372 -1.466 1.00 0.52 H new ATOM 0 HD11 ILE A 22 1.566 7.108 0.895 1.00 0.69 H new ATOM 0 HD12 ILE A 22 -0.017 6.727 1.614 1.00 0.69 H new ATOM 0 HD13 ILE A 22 0.891 5.469 0.743 1.00 0.69 H new ATOM 324 N GLU A 23 -4.200 5.747 -1.831 1.00 0.45 N ATOM 325 CA GLU A 23 -5.326 4.863 -2.105 1.00 0.49 C ATOM 326 C GLU A 23 -5.785 4.965 -3.561 1.00 0.48 C ATOM 327 O GLU A 23 -5.889 3.945 -4.243 1.00 0.60 O ATOM 328 CB GLU A 23 -6.469 5.122 -1.121 1.00 0.59 C ATOM 329 CG GLU A 23 -6.012 4.757 0.294 1.00 1.75 C ATOM 330 CD GLU A 23 -7.150 4.797 1.302 1.00 2.60 C ATOM 331 OE1 GLU A 23 -8.056 5.635 1.115 1.00 3.12 O ATOM 332 OE2 GLU A 23 -7.073 3.985 2.252 1.00 3.83 O ATOM 0 H GLU A 23 -4.332 6.371 -1.035 1.00 0.45 H new ATOM 0 HA GLU A 23 -4.992 3.836 -1.958 1.00 0.49 H new ATOM 0 HB2 GLU A 23 -6.767 6.170 -1.160 1.00 0.59 H new ATOM 0 HB3 GLU A 23 -7.343 4.531 -1.397 1.00 0.59 H new ATOM 0 HG2 GLU A 23 -5.574 3.759 0.285 1.00 1.75 H new ATOM 0 HG3 GLU A 23 -5.228 5.446 0.608 1.00 1.75 H new ATOM 339 N SER A 24 -6.008 6.192 -4.037 1.00 0.41 N ATOM 340 CA SER A 24 -6.394 6.484 -5.410 1.00 0.44 C ATOM 341 C SER A 24 -5.385 5.906 -6.407 1.00 0.47 C ATOM 342 O SER A 24 -5.768 5.281 -7.395 1.00 0.60 O ATOM 343 CB SER A 24 -6.547 8.002 -5.588 1.00 0.49 C ATOM 344 OG SER A 24 -7.007 8.322 -6.886 1.00 0.76 O ATOM 0 H SER A 24 -5.922 7.028 -3.459 1.00 0.41 H new ATOM 0 HA SER A 24 -7.352 6.007 -5.615 1.00 0.44 H new ATOM 0 HB2 SER A 24 -7.246 8.389 -4.846 1.00 0.49 H new ATOM 0 HB3 SER A 24 -5.589 8.490 -5.408 1.00 0.49 H new ATOM 0 HG SER A 24 -7.097 9.294 -6.971 1.00 0.76 H new ATOM 350 N SER A 25 -4.087 6.113 -6.167 1.00 0.43 N ATOM 351 CA SER A 25 -3.063 5.732 -7.126 1.00 0.47 C ATOM 352 C SER A 25 -2.970 4.216 -7.217 1.00 0.50 C ATOM 353 O SER A 25 -2.711 3.671 -8.289 1.00 0.69 O ATOM 354 CB SER A 25 -1.709 6.332 -6.745 1.00 0.49 C ATOM 355 OG SER A 25 -1.265 5.847 -5.499 1.00 2.31 O ATOM 0 H SER A 25 -3.727 6.543 -5.315 1.00 0.43 H new ATOM 0 HA SER A 25 -3.342 6.126 -8.103 1.00 0.47 H new ATOM 0 HB2 SER A 25 -0.974 6.093 -7.513 1.00 0.49 H new ATOM 0 HB3 SER A 25 -1.788 7.418 -6.707 1.00 0.49 H new ATOM 0 HG SER A 25 -2.032 5.731 -4.901 1.00 2.31 H new ATOM 361 N LEU A 26 -3.128 3.549 -6.079 1.00 0.53 N ATOM 362 CA LEU A 26 -3.084 2.112 -5.955 1.00 0.62 C ATOM 363 C LEU A 26 -4.331 1.455 -6.555 1.00 0.65 C ATOM 364 O LEU A 26 -4.197 0.493 -7.314 1.00 0.73 O ATOM 365 CB LEU A 26 -2.855 1.751 -4.484 1.00 0.69 C ATOM 366 CG LEU A 26 -1.368 1.609 -4.106 1.00 0.79 C ATOM 367 CD1 LEU A 26 -0.556 2.893 -4.295 1.00 2.63 C ATOM 368 CD2 LEU A 26 -1.264 1.165 -2.644 1.00 1.80 C ATOM 0 H LEU A 26 -3.296 4.019 -5.190 1.00 0.53 H new ATOM 0 HA LEU A 26 -2.250 1.715 -6.534 1.00 0.62 H new ATOM 0 HB2 LEU A 26 -3.309 2.518 -3.856 1.00 0.69 H new ATOM 0 HB3 LEU A 26 -3.368 0.814 -4.265 1.00 0.69 H new ATOM 0 HG LEU A 26 -0.944 0.868 -4.783 1.00 0.79 H new ATOM 0 HD11 LEU A 26 0.480 2.714 -4.008 1.00 2.63 H new ATOM 0 HD12 LEU A 26 -0.596 3.198 -5.341 1.00 2.63 H new ATOM 0 HD13 LEU A 26 -0.974 3.683 -3.671 1.00 2.63 H new ATOM 0 HD21 LEU A 26 -0.214 1.062 -2.369 1.00 1.80 H new ATOM 0 HD22 LEU A 26 -1.736 1.910 -2.003 1.00 1.80 H new ATOM 0 HD23 LEU A 26 -1.768 0.207 -2.518 1.00 1.80 H new ATOM 380 N THR A 27 -5.537 1.939 -6.224 1.00 0.66 N ATOM 381 CA THR A 27 -6.805 1.380 -6.708 1.00 0.77 C ATOM 382 C THR A 27 -7.040 1.687 -8.200 1.00 0.95 C ATOM 383 O THR A 27 -7.952 2.401 -8.606 1.00 2.03 O ATOM 384 CB THR A 27 -7.955 1.727 -5.747 1.00 1.03 C ATOM 385 OG1 THR A 27 -9.033 0.832 -5.928 1.00 2.66 O ATOM 386 CG2 THR A 27 -8.466 3.166 -5.846 1.00 1.91 C ATOM 0 H THR A 27 -5.659 2.740 -5.605 1.00 0.66 H new ATOM 0 HA THR A 27 -6.756 0.291 -6.690 1.00 0.77 H new ATOM 0 HB THR A 27 -7.528 1.628 -4.749 1.00 1.03 H new ATOM 0 HG1 THR A 27 -9.757 1.063 -5.310 1.00 2.66 H new ATOM 0 HG21 THR A 27 -9.275 3.315 -5.131 1.00 1.91 H new ATOM 0 HG22 THR A 27 -7.653 3.857 -5.623 1.00 1.91 H new ATOM 0 HG23 THR A 27 -8.834 3.353 -6.855 1.00 1.91 H new ATOM 394 N LYS A 28 -6.165 1.108 -9.018 1.00 1.38 N ATOM 395 CA LYS A 28 -6.087 1.188 -10.470 1.00 1.39 C ATOM 396 C LYS A 28 -5.125 0.137 -11.053 1.00 1.05 C ATOM 397 O LYS A 28 -5.273 -0.222 -12.220 1.00 1.11 O ATOM 398 CB LYS A 28 -5.736 2.615 -10.930 1.00 1.60 C ATOM 399 CG LYS A 28 -4.279 3.000 -10.658 1.00 1.70 C ATOM 400 CD LYS A 28 -3.410 2.967 -11.932 1.00 2.48 C ATOM 401 CE LYS A 28 -1.958 2.551 -11.658 1.00 3.82 C ATOM 402 NZ LYS A 28 -1.330 3.303 -10.550 1.00 4.75 N ATOM 0 H LYS A 28 -5.424 0.516 -8.643 1.00 1.38 H new ATOM 0 HA LYS A 28 -7.076 0.954 -10.865 1.00 1.39 H new ATOM 0 HB2 LYS A 28 -5.934 2.704 -11.998 1.00 1.60 H new ATOM 0 HB3 LYS A 28 -6.392 3.324 -10.424 1.00 1.60 H new ATOM 0 HG2 LYS A 28 -4.246 4.000 -10.226 1.00 1.70 H new ATOM 0 HG3 LYS A 28 -3.859 2.319 -9.918 1.00 1.70 H new ATOM 0 HD2 LYS A 28 -3.851 2.274 -12.648 1.00 2.48 H new ATOM 0 HD3 LYS A 28 -3.418 3.953 -12.396 1.00 2.48 H new ATOM 0 HE2 LYS A 28 -1.931 1.486 -11.426 1.00 3.82 H new ATOM 0 HE3 LYS A 28 -1.370 2.695 -12.564 1.00 3.82 H new ATOM 0 HZ1 LYS A 28 -0.670 2.682 -10.040 1.00 4.75 H new ATOM 0 HZ2 LYS A 28 -0.812 4.119 -10.934 1.00 4.75 H new ATOM 0 HZ3 LYS A 28 -2.066 3.637 -9.896 1.00 4.75 H new ATOM 416 N HIS A 29 -4.149 -0.375 -10.280 1.00 0.84 N ATOM 417 CA HIS A 29 -3.234 -1.425 -10.724 1.00 0.76 C ATOM 418 C HIS A 29 -3.928 -2.741 -11.116 1.00 1.18 C ATOM 419 O HIS A 29 -3.270 -3.605 -11.690 1.00 2.95 O ATOM 420 CB HIS A 29 -2.204 -1.714 -9.619 1.00 0.79 C ATOM 421 CG HIS A 29 -1.162 -0.639 -9.418 1.00 0.84 C ATOM 422 ND1 HIS A 29 0.188 -0.743 -9.674 1.00 1.62 N ATOM 423 CD2 HIS A 29 -1.389 0.636 -8.984 1.00 0.96 C ATOM 424 CE1 HIS A 29 0.743 0.453 -9.412 1.00 1.46 C ATOM 425 NE2 HIS A 29 -0.189 1.346 -9.040 1.00 1.04 N ATOM 0 H HIS A 29 -3.978 -0.064 -9.324 1.00 0.84 H new ATOM 0 HA HIS A 29 -2.755 -1.043 -11.626 1.00 0.76 H new ATOM 0 HB2 HIS A 29 -2.735 -1.864 -8.679 1.00 0.79 H new ATOM 0 HB3 HIS A 29 -1.697 -2.651 -9.852 1.00 0.79 H new ATOM 0 HD1 HIS A 29 0.677 -1.576 -10.002 1.00 1.62 H new ATOM 0 HD2 HIS A 29 -2.339 1.029 -8.653 1.00 0.96 H new ATOM 0 HE1 HIS A 29 1.799 0.668 -9.490 1.00 1.46 H new ATOM 433 N ARG A 30 -5.205 -2.941 -10.763 1.00 1.15 N ATOM 434 CA ARG A 30 -5.962 -4.190 -10.904 1.00 1.15 C ATOM 435 C ARG A 30 -5.465 -5.243 -9.911 1.00 1.26 C ATOM 436 O ARG A 30 -6.259 -5.775 -9.142 1.00 2.15 O ATOM 437 CB ARG A 30 -6.000 -4.756 -12.339 1.00 1.43 C ATOM 438 CG ARG A 30 -7.021 -4.081 -13.265 1.00 1.83 C ATOM 439 CD ARG A 30 -6.741 -2.594 -13.491 1.00 2.92 C ATOM 440 NE ARG A 30 -7.576 -2.062 -14.580 1.00 3.66 N ATOM 441 CZ ARG A 30 -7.532 -0.801 -15.038 1.00 5.11 C ATOM 442 NH1 ARG A 30 -6.709 0.090 -14.475 1.00 6.13 N ATOM 443 NH2 ARG A 30 -8.314 -0.436 -16.060 1.00 6.14 N ATOM 0 H ARG A 30 -5.766 -2.196 -10.350 1.00 1.15 H new ATOM 0 HA ARG A 30 -6.995 -3.932 -10.670 1.00 1.15 H new ATOM 0 HB2 ARG A 30 -5.008 -4.658 -12.781 1.00 1.43 H new ATOM 0 HB3 ARG A 30 -6.223 -5.822 -12.289 1.00 1.43 H new ATOM 0 HG2 ARG A 30 -7.024 -4.594 -14.227 1.00 1.83 H new ATOM 0 HG3 ARG A 30 -8.018 -4.196 -12.840 1.00 1.83 H new ATOM 0 HD2 ARG A 30 -6.937 -2.039 -12.573 1.00 2.92 H new ATOM 0 HD3 ARG A 30 -5.688 -2.451 -13.732 1.00 2.92 H new ATOM 0 HE ARG A 30 -8.239 -2.700 -15.020 1.00 3.66 H new ATOM 0 HH11 ARG A 30 -6.113 -0.188 -13.696 1.00 6.13 H new ATOM 0 HH12 ARG A 30 -6.678 1.048 -14.825 1.00 6.13 H new ATOM 0 HH21 ARG A 30 -8.942 -1.115 -16.490 1.00 6.14 H new ATOM 0 HH22 ARG A 30 -8.282 0.522 -16.410 1.00 6.14 H new ATOM 457 N GLY A 31 -4.163 -5.539 -9.912 1.00 0.91 N ATOM 458 CA GLY A 31 -3.572 -6.495 -8.985 1.00 0.98 C ATOM 459 C GLY A 31 -3.871 -6.151 -7.529 1.00 0.91 C ATOM 460 O GLY A 31 -4.006 -7.041 -6.694 1.00 1.14 O ATOM 0 H GLY A 31 -3.493 -5.120 -10.557 1.00 0.91 H new ATOM 0 HA2 GLY A 31 -3.951 -7.493 -9.205 1.00 0.98 H new ATOM 0 HA3 GLY A 31 -2.493 -6.523 -9.135 1.00 0.98 H new ATOM 464 N ILE A 32 -3.985 -4.856 -7.229 1.00 0.95 N ATOM 465 CA ILE A 32 -4.526 -4.369 -5.976 1.00 0.91 C ATOM 466 C ILE A 32 -6.046 -4.453 -6.077 1.00 0.91 C ATOM 467 O ILE A 32 -6.669 -3.623 -6.738 1.00 1.44 O ATOM 468 CB ILE A 32 -4.043 -2.930 -5.742 1.00 0.96 C ATOM 469 CG1 ILE A 32 -2.510 -2.929 -5.761 1.00 2.64 C ATOM 470 CG2 ILE A 32 -4.571 -2.377 -4.413 1.00 2.33 C ATOM 471 CD1 ILE A 32 -1.944 -1.560 -5.425 1.00 4.15 C ATOM 0 H ILE A 32 -3.698 -4.112 -7.864 1.00 0.95 H new ATOM 0 HA ILE A 32 -4.190 -4.964 -5.127 1.00 0.91 H new ATOM 0 HB ILE A 32 -4.426 -2.283 -6.531 1.00 0.96 H new ATOM 0 HG12 ILE A 32 -2.137 -3.662 -5.046 1.00 2.64 H new ATOM 0 HG13 ILE A 32 -2.158 -3.236 -6.746 1.00 2.64 H new ATOM 0 HG21 ILE A 32 -4.212 -1.357 -4.275 1.00 2.33 H new ATOM 0 HG22 ILE A 32 -5.661 -2.380 -4.425 1.00 2.33 H new ATOM 0 HG23 ILE A 32 -4.216 -3.000 -3.593 1.00 2.33 H new ATOM 0 HD11 ILE A 32 -0.855 -1.601 -5.449 1.00 4.15 H new ATOM 0 HD12 ILE A 32 -2.296 -0.831 -6.155 1.00 4.15 H new ATOM 0 HD13 ILE A 32 -2.274 -1.264 -4.429 1.00 4.15 H new ATOM 483 N LEU A 33 -6.638 -5.440 -5.406 1.00 0.59 N ATOM 484 CA LEU A 33 -8.078 -5.634 -5.384 1.00 0.68 C ATOM 485 C LEU A 33 -8.714 -4.652 -4.400 1.00 0.63 C ATOM 486 O LEU A 33 -9.874 -4.280 -4.564 1.00 0.71 O ATOM 487 CB LEU A 33 -8.408 -7.081 -4.982 1.00 0.78 C ATOM 488 CG LEU A 33 -7.710 -8.146 -5.847 1.00 1.09 C ATOM 489 CD1 LEU A 33 -7.970 -9.535 -5.254 1.00 1.68 C ATOM 490 CD2 LEU A 33 -8.209 -8.117 -7.296 1.00 1.71 C ATOM 0 H LEU A 33 -6.123 -6.130 -4.860 1.00 0.59 H new ATOM 0 HA LEU A 33 -8.481 -5.449 -6.380 1.00 0.68 H new ATOM 0 HB2 LEU A 33 -8.125 -7.231 -3.940 1.00 0.78 H new ATOM 0 HB3 LEU A 33 -9.486 -7.227 -5.044 1.00 0.78 H new ATOM 0 HG LEU A 33 -6.642 -7.926 -5.851 1.00 1.09 H new ATOM 0 HD11 LEU A 33 -7.476 -10.290 -5.866 1.00 1.68 H new ATOM 0 HD12 LEU A 33 -7.576 -9.577 -4.238 1.00 1.68 H new ATOM 0 HD13 LEU A 33 -9.043 -9.728 -5.236 1.00 1.68 H new ATOM 0 HD21 LEU A 33 -7.692 -8.883 -7.874 1.00 1.71 H new ATOM 0 HD22 LEU A 33 -9.282 -8.309 -7.315 1.00 1.71 H new ATOM 0 HD23 LEU A 33 -8.008 -7.138 -7.730 1.00 1.71 H new ATOM 502 N TYR A 34 -7.970 -4.240 -3.366 1.00 0.56 N ATOM 503 CA TYR A 34 -8.422 -3.242 -2.411 1.00 0.56 C ATOM 504 C TYR A 34 -7.200 -2.606 -1.766 1.00 0.49 C ATOM 505 O TYR A 34 -6.138 -3.226 -1.722 1.00 0.48 O ATOM 506 CB TYR A 34 -9.319 -3.881 -1.343 1.00 0.61 C ATOM 507 CG TYR A 34 -10.003 -2.891 -0.421 1.00 0.67 C ATOM 508 CD1 TYR A 34 -10.925 -1.967 -0.946 1.00 1.90 C ATOM 509 CD2 TYR A 34 -9.723 -2.894 0.959 1.00 1.52 C ATOM 510 CE1 TYR A 34 -11.552 -1.040 -0.096 1.00 2.04 C ATOM 511 CE2 TYR A 34 -10.389 -2.000 1.814 1.00 1.52 C ATOM 512 CZ TYR A 34 -11.281 -1.052 1.282 1.00 0.99 C ATOM 513 OH TYR A 34 -11.945 -0.194 2.106 1.00 1.29 O ATOM 0 H TYR A 34 -7.034 -4.597 -3.175 1.00 0.56 H new ATOM 0 HA TYR A 34 -9.010 -2.482 -2.925 1.00 0.56 H new ATOM 0 HB2 TYR A 34 -10.081 -4.482 -1.839 1.00 0.61 H new ATOM 0 HB3 TYR A 34 -8.717 -4.562 -0.741 1.00 0.61 H new ATOM 0 HD1 TYR A 34 -11.151 -1.970 -2.002 1.00 1.90 H new ATOM 0 HD2 TYR A 34 -8.996 -3.584 1.360 1.00 1.52 H new ATOM 0 HE1 TYR A 34 -12.243 -0.317 -0.503 1.00 2.04 H new ATOM 0 HE2 TYR A 34 -10.216 -2.041 2.879 1.00 1.52 H new ATOM 0 HH TYR A 34 -11.644 -0.328 3.029 1.00 1.29 H new ATOM 523 N CYS A 35 -7.374 -1.395 -1.242 1.00 0.52 N ATOM 524 CA CYS A 35 -6.392 -0.645 -0.483 1.00 0.51 C ATOM 525 C CYS A 35 -7.128 0.007 0.684 1.00 0.58 C ATOM 526 O CYS A 35 -8.278 0.420 0.542 1.00 1.02 O ATOM 527 CB CYS A 35 -5.695 0.386 -1.381 1.00 0.60 C ATOM 528 SG CYS A 35 -6.874 1.625 -1.971 1.00 2.60 S ATOM 0 H CYS A 35 -8.253 -0.888 -1.344 1.00 0.52 H new ATOM 0 HA CYS A 35 -5.605 -1.294 -0.099 1.00 0.51 H new ATOM 0 HB2 CYS A 35 -4.894 0.875 -0.827 1.00 0.60 H new ATOM 0 HB3 CYS A 35 -5.234 -0.118 -2.231 1.00 0.60 H new ATOM 0 HG CYS A 35 -6.300 2.382 -2.859 1.00 2.60 H new ATOM 534 N SER A 36 -6.495 0.025 1.858 1.00 0.43 N ATOM 535 CA SER A 36 -6.932 0.779 3.020 1.00 0.53 C ATOM 536 C SER A 36 -5.674 1.212 3.764 1.00 0.48 C ATOM 537 O SER A 36 -5.085 0.399 4.490 1.00 0.64 O ATOM 538 CB SER A 36 -7.858 -0.071 3.898 1.00 0.73 C ATOM 539 OG SER A 36 -8.130 0.573 5.137 1.00 1.54 O ATOM 0 H SER A 36 -5.638 -0.503 2.025 1.00 0.43 H new ATOM 0 HA SER A 36 -7.512 1.655 2.731 1.00 0.53 H new ATOM 0 HB2 SER A 36 -8.793 -0.258 3.370 1.00 0.73 H new ATOM 0 HB3 SER A 36 -7.397 -1.041 4.083 1.00 0.73 H new ATOM 0 HG SER A 36 -8.724 0.009 5.675 1.00 1.54 H new ATOM 545 N VAL A 37 -5.271 2.468 3.598 1.00 0.48 N ATOM 546 CA VAL A 37 -4.093 3.041 4.230 1.00 0.52 C ATOM 547 C VAL A 37 -4.508 3.877 5.439 1.00 0.59 C ATOM 548 O VAL A 37 -5.627 4.383 5.489 1.00 0.71 O ATOM 549 CB VAL A 37 -3.278 3.818 3.178 1.00 0.73 C ATOM 550 CG1 VAL A 37 -3.813 5.228 2.947 1.00 1.94 C ATOM 551 CG2 VAL A 37 -1.811 3.936 3.578 1.00 2.75 C ATOM 0 H VAL A 37 -5.770 3.131 3.004 1.00 0.48 H new ATOM 0 HA VAL A 37 -3.437 2.261 4.616 1.00 0.52 H new ATOM 0 HB VAL A 37 -3.373 3.241 2.258 1.00 0.73 H new ATOM 0 HG11 VAL A 37 -3.202 5.731 2.197 1.00 1.94 H new ATOM 0 HG12 VAL A 37 -4.844 5.173 2.598 1.00 1.94 H new ATOM 0 HG13 VAL A 37 -3.775 5.789 3.881 1.00 1.94 H new ATOM 0 HG21 VAL A 37 -1.268 4.490 2.812 1.00 2.75 H new ATOM 0 HG22 VAL A 37 -1.734 4.463 4.529 1.00 2.75 H new ATOM 0 HG23 VAL A 37 -1.380 2.940 3.679 1.00 2.75 H new ATOM 561 N ALA A 38 -3.630 4.017 6.436 1.00 0.60 N ATOM 562 CA ALA A 38 -3.870 4.954 7.524 1.00 0.69 C ATOM 563 C ALA A 38 -2.569 5.396 8.169 1.00 0.72 C ATOM 564 O ALA A 38 -1.802 4.564 8.651 1.00 0.76 O ATOM 565 CB ALA A 38 -4.760 4.338 8.601 1.00 0.69 C ATOM 0 H ALA A 38 -2.756 3.496 6.508 1.00 0.60 H new ATOM 0 HA ALA A 38 -4.372 5.817 7.087 1.00 0.69 H new ATOM 0 HB1 ALA A 38 -4.920 5.063 9.399 1.00 0.69 H new ATOM 0 HB2 ALA A 38 -5.720 4.060 8.165 1.00 0.69 H new ATOM 0 HB3 ALA A 38 -4.276 3.450 9.009 1.00 0.69 H new ATOM 571 N LEU A 39 -2.384 6.714 8.270 1.00 0.87 N ATOM 572 CA LEU A 39 -1.404 7.319 9.156 1.00 0.88 C ATOM 573 C LEU A 39 -1.789 7.100 10.617 1.00 0.71 C ATOM 574 O LEU A 39 -0.909 7.005 11.466 1.00 0.85 O ATOM 575 CB LEU A 39 -1.186 8.798 8.794 1.00 1.19 C ATOM 576 CG LEU A 39 -2.385 9.738 9.037 1.00 0.93 C ATOM 577 CD1 LEU A 39 -2.378 10.338 10.451 1.00 1.70 C ATOM 578 CD2 LEU A 39 -2.315 10.903 8.043 1.00 1.07 C ATOM 0 H LEU A 39 -2.920 7.394 7.730 1.00 0.87 H new ATOM 0 HA LEU A 39 -0.441 6.826 9.019 1.00 0.88 H new ATOM 0 HB2 LEU A 39 -0.336 9.170 9.366 1.00 1.19 H new ATOM 0 HB3 LEU A 39 -0.911 8.857 7.741 1.00 1.19 H new ATOM 0 HG LEU A 39 -3.291 9.145 8.911 1.00 0.93 H new ATOM 0 HD11 LEU A 39 -3.241 10.992 10.573 1.00 1.70 H new ATOM 0 HD12 LEU A 39 -2.424 9.535 11.187 1.00 1.70 H new ATOM 0 HD13 LEU A 39 -1.464 10.913 10.598 1.00 1.70 H new ATOM 0 HD21 LEU A 39 -3.159 11.573 8.207 1.00 1.07 H new ATOM 0 HD22 LEU A 39 -1.384 11.450 8.189 1.00 1.07 H new ATOM 0 HD23 LEU A 39 -2.352 10.515 7.025 1.00 1.07 H new ATOM 590 N ALA A 40 -3.089 6.977 10.912 1.00 0.74 N ATOM 591 CA ALA A 40 -3.566 6.776 12.275 1.00 0.91 C ATOM 592 C ALA A 40 -2.873 5.565 12.898 1.00 0.93 C ATOM 593 O ALA A 40 -2.329 5.644 13.994 1.00 1.18 O ATOM 594 CB ALA A 40 -5.089 6.615 12.280 1.00 1.19 C ATOM 0 H ALA A 40 -3.831 7.014 10.213 1.00 0.74 H new ATOM 0 HA ALA A 40 -3.320 7.650 12.878 1.00 0.91 H new ATOM 0 HB1 ALA A 40 -5.436 6.465 13.303 1.00 1.19 H new ATOM 0 HB2 ALA A 40 -5.551 7.512 11.868 1.00 1.19 H new ATOM 0 HB3 ALA A 40 -5.366 5.753 11.673 1.00 1.19 H new ATOM 600 N THR A 41 -2.876 4.447 12.169 1.00 0.83 N ATOM 601 CA THR A 41 -2.154 3.247 12.552 1.00 0.91 C ATOM 602 C THR A 41 -0.685 3.327 12.124 1.00 0.99 C ATOM 603 O THR A 41 0.169 2.761 12.797 1.00 1.58 O ATOM 604 CB THR A 41 -2.823 2.023 11.909 1.00 0.94 C ATOM 605 OG1 THR A 41 -4.080 2.368 11.352 1.00 2.08 O ATOM 606 CG2 THR A 41 -3.010 0.886 12.914 1.00 1.50 C ATOM 0 H THR A 41 -3.386 4.355 11.290 1.00 0.83 H new ATOM 0 HA THR A 41 -2.183 3.155 13.638 1.00 0.91 H new ATOM 0 HB THR A 41 -2.158 1.679 11.117 1.00 0.94 H new ATOM 0 HG1 THR A 41 -4.621 1.559 11.238 1.00 2.08 H new ATOM 0 HG21 THR A 41 -3.486 0.039 12.420 1.00 1.50 H new ATOM 0 HG22 THR A 41 -2.039 0.580 13.303 1.00 1.50 H new ATOM 0 HG23 THR A 41 -3.639 1.227 13.736 1.00 1.50 H new ATOM 614 N ASN A 42 -0.420 3.957 10.967 1.00 0.77 N ATOM 615 CA ASN A 42 0.722 3.672 10.099 1.00 1.03 C ATOM 616 C ASN A 42 0.547 2.245 9.589 1.00 1.30 C ATOM 617 O ASN A 42 1.196 1.327 10.073 1.00 2.03 O ATOM 618 CB ASN A 42 2.102 3.901 10.748 1.00 1.22 C ATOM 619 CG ASN A 42 2.560 5.355 10.742 1.00 0.96 C ATOM 620 OD1 ASN A 42 3.752 5.635 10.597 1.00 2.01 O ATOM 621 ND2 ASN A 42 1.645 6.299 10.923 1.00 1.21 N ATOM 0 H ASN A 42 -1.016 4.701 10.604 1.00 0.77 H new ATOM 0 HA ASN A 42 0.723 4.388 9.277 1.00 1.03 H new ATOM 0 HB2 ASN A 42 2.070 3.546 11.778 1.00 1.22 H new ATOM 0 HB3 ASN A 42 2.842 3.296 10.225 1.00 1.22 H new ATOM 0 HD21 ASN A 42 1.922 7.280 10.944 1.00 1.21 H new ATOM 0 HD22 ASN A 42 0.665 6.043 11.041 1.00 1.21 H new ATOM 628 N LYS A 43 -0.358 2.052 8.627 1.00 0.85 N ATOM 629 CA LYS A 43 -0.589 0.755 8.002 1.00 0.88 C ATOM 630 C LYS A 43 -1.066 0.948 6.570 1.00 0.70 C ATOM 631 O LYS A 43 -1.559 2.031 6.237 1.00 0.65 O ATOM 632 CB LYS A 43 -1.594 -0.070 8.820 1.00 0.97 C ATOM 633 CG LYS A 43 -3.004 0.535 8.914 1.00 1.36 C ATOM 634 CD LYS A 43 -3.914 0.126 7.747 1.00 1.19 C ATOM 635 CE LYS A 43 -5.379 0.500 8.000 1.00 1.64 C ATOM 636 NZ LYS A 43 -6.233 0.000 6.902 1.00 2.63 N ATOM 0 H LYS A 43 -0.952 2.796 8.261 1.00 0.85 H new ATOM 0 HA LYS A 43 0.349 0.200 7.979 1.00 0.88 H new ATOM 0 HB2 LYS A 43 -1.670 -1.064 8.379 1.00 0.97 H new ATOM 0 HB3 LYS A 43 -1.201 -0.198 9.829 1.00 0.97 H new ATOM 0 HG2 LYS A 43 -3.464 0.224 9.852 1.00 1.36 H new ATOM 0 HG3 LYS A 43 -2.925 1.622 8.942 1.00 1.36 H new ATOM 0 HD2 LYS A 43 -3.570 0.609 6.833 1.00 1.19 H new ATOM 0 HD3 LYS A 43 -3.837 -0.950 7.588 1.00 1.19 H new ATOM 0 HE2 LYS A 43 -5.711 0.078 8.949 1.00 1.64 H new ATOM 0 HE3 LYS A 43 -5.476 1.583 8.081 1.00 1.64 H new ATOM 0 HZ1 LYS A 43 -6.954 0.713 6.671 1.00 2.63 H new ATOM 0 HZ2 LYS A 43 -5.647 -0.185 6.063 1.00 2.63 H new ATOM 0 HZ3 LYS A 43 -6.700 -0.881 7.199 1.00 2.63 H new ATOM 650 N ALA A 44 -0.990 -0.112 5.761 1.00 0.75 N ATOM 651 CA ALA A 44 -1.580 -0.190 4.437 1.00 0.58 C ATOM 652 C ALA A 44 -2.043 -1.612 4.159 1.00 0.54 C ATOM 653 O ALA A 44 -1.299 -2.435 3.633 1.00 0.78 O ATOM 654 CB ALA A 44 -0.620 0.306 3.360 1.00 0.69 C ATOM 0 H ALA A 44 -0.497 -0.965 6.026 1.00 0.75 H new ATOM 0 HA ALA A 44 -2.447 0.469 4.409 1.00 0.58 H new ATOM 0 HB1 ALA A 44 -1.099 0.232 2.384 1.00 0.69 H new ATOM 0 HB2 ALA A 44 -0.358 1.345 3.557 1.00 0.69 H new ATOM 0 HB3 ALA A 44 0.283 -0.304 3.369 1.00 0.69 H new ATOM 660 N HIS A 45 -3.318 -1.879 4.435 1.00 0.52 N ATOM 661 CA HIS A 45 -3.904 -3.146 4.059 1.00 0.53 C ATOM 662 C HIS A 45 -4.197 -3.046 2.568 1.00 0.47 C ATOM 663 O HIS A 45 -5.143 -2.369 2.164 1.00 0.55 O ATOM 664 CB HIS A 45 -5.126 -3.432 4.937 1.00 0.64 C ATOM 665 CG HIS A 45 -5.669 -4.822 4.739 1.00 0.72 C ATOM 666 ND1 HIS A 45 -5.735 -5.825 5.680 1.00 0.90 N ATOM 667 CD2 HIS A 45 -6.101 -5.339 3.553 1.00 0.76 C ATOM 668 CE1 HIS A 45 -6.226 -6.917 5.067 1.00 1.02 C ATOM 669 NE2 HIS A 45 -6.475 -6.668 3.769 1.00 0.95 N ATOM 0 H HIS A 45 -3.952 -1.238 4.912 1.00 0.52 H new ATOM 0 HA HIS A 45 -3.244 -3.998 4.223 1.00 0.53 H new ATOM 0 HB2 HIS A 45 -4.856 -3.297 5.984 1.00 0.64 H new ATOM 0 HB3 HIS A 45 -5.907 -2.706 4.714 1.00 0.64 H new ATOM 0 HD1 HIS A 45 -5.462 -5.753 6.660 1.00 0.90 H new ATOM 0 HD2 HIS A 45 -6.146 -4.813 2.611 1.00 0.76 H new ATOM 0 HE1 HIS A 45 -6.397 -7.867 5.552 1.00 1.02 H new ATOM 677 N ILE A 46 -3.356 -3.702 1.769 1.00 0.48 N ATOM 678 CA ILE A 46 -3.502 -3.849 0.336 1.00 0.49 C ATOM 679 C ILE A 46 -3.922 -5.294 0.105 1.00 0.57 C ATOM 680 O ILE A 46 -3.160 -6.221 0.371 1.00 0.98 O ATOM 681 CB ILE A 46 -2.188 -3.492 -0.390 1.00 0.57 C ATOM 682 CG1 ILE A 46 -2.078 -1.988 -0.683 1.00 1.42 C ATOM 683 CG2 ILE A 46 -2.079 -4.230 -1.729 1.00 1.37 C ATOM 684 CD1 ILE A 46 -1.889 -1.157 0.580 1.00 1.78 C ATOM 0 H ILE A 46 -2.520 -4.163 2.127 1.00 0.48 H new ATOM 0 HA ILE A 46 -4.250 -3.168 -0.070 1.00 0.49 H new ATOM 0 HB ILE A 46 -1.385 -3.794 0.283 1.00 0.57 H new ATOM 0 HG12 ILE A 46 -1.239 -1.813 -1.357 1.00 1.42 H new ATOM 0 HG13 ILE A 46 -2.978 -1.656 -1.201 1.00 1.42 H new ATOM 0 HG21 ILE A 46 -1.143 -3.959 -2.219 1.00 1.37 H new ATOM 0 HG22 ILE A 46 -2.099 -5.306 -1.554 1.00 1.37 H new ATOM 0 HG23 ILE A 46 -2.917 -3.950 -2.368 1.00 1.37 H new ATOM 0 HD11 ILE A 46 -1.817 -0.102 0.314 1.00 1.78 H new ATOM 0 HD12 ILE A 46 -2.740 -1.307 1.245 1.00 1.78 H new ATOM 0 HD13 ILE A 46 -0.974 -1.467 1.086 1.00 1.78 H new ATOM 696 N LYS A 47 -5.127 -5.506 -0.416 1.00 0.43 N ATOM 697 CA LYS A 47 -5.516 -6.826 -0.870 1.00 0.48 C ATOM 698 C LYS A 47 -4.948 -7.023 -2.270 1.00 0.48 C ATOM 699 O LYS A 47 -5.659 -6.908 -3.265 1.00 1.01 O ATOM 700 CB LYS A 47 -7.032 -6.981 -0.810 1.00 0.70 C ATOM 701 CG LYS A 47 -7.540 -6.877 0.629 1.00 0.76 C ATOM 702 CD LYS A 47 -8.999 -7.333 0.717 1.00 1.73 C ATOM 703 CE LYS A 47 -9.476 -7.275 2.174 1.00 2.38 C ATOM 704 NZ LYS A 47 -10.869 -7.743 2.318 1.00 3.63 N ATOM 0 H LYS A 47 -5.840 -4.786 -0.531 1.00 0.43 H new ATOM 0 HA LYS A 47 -5.112 -7.604 -0.222 1.00 0.48 H new ATOM 0 HB2 LYS A 47 -7.504 -6.212 -1.422 1.00 0.70 H new ATOM 0 HB3 LYS A 47 -7.319 -7.944 -1.231 1.00 0.70 H new ATOM 0 HG2 LYS A 47 -6.921 -7.490 1.285 1.00 0.76 H new ATOM 0 HG3 LYS A 47 -7.453 -5.848 0.978 1.00 0.76 H new ATOM 0 HD2 LYS A 47 -9.627 -6.696 0.094 1.00 1.73 H new ATOM 0 HD3 LYS A 47 -9.096 -8.349 0.333 1.00 1.73 H new ATOM 0 HE2 LYS A 47 -8.822 -7.887 2.795 1.00 2.38 H new ATOM 0 HE3 LYS A 47 -9.397 -6.252 2.541 1.00 2.38 H new ATOM 0 HZ1 LYS A 47 -11.152 -7.688 3.317 1.00 3.63 H new ATOM 0 HZ2 LYS A 47 -11.498 -7.143 1.746 1.00 3.63 H new ATOM 0 HZ3 LYS A 47 -10.940 -8.728 1.992 1.00 3.63 H new ATOM 718 N TYR A 48 -3.640 -7.266 -2.342 1.00 1.13 N ATOM 719 CA TYR A 48 -3.006 -7.670 -3.586 1.00 1.12 C ATOM 720 C TYR A 48 -3.487 -9.055 -4.015 1.00 0.89 C ATOM 721 O TYR A 48 -3.935 -9.836 -3.179 1.00 1.05 O ATOM 722 CB TYR A 48 -1.473 -7.631 -3.471 1.00 1.36 C ATOM 723 CG TYR A 48 -0.751 -8.725 -2.696 1.00 1.33 C ATOM 724 CD1 TYR A 48 -1.355 -9.434 -1.636 1.00 2.62 C ATOM 725 CD2 TYR A 48 0.594 -8.990 -3.019 1.00 2.12 C ATOM 726 CE1 TYR A 48 -0.647 -10.452 -0.972 1.00 2.90 C ATOM 727 CE2 TYR A 48 1.311 -9.976 -2.321 1.00 2.09 C ATOM 728 CZ TYR A 48 0.687 -10.715 -1.307 1.00 1.79 C ATOM 729 OH TYR A 48 1.393 -11.664 -0.631 1.00 2.10 O ATOM 0 H TYR A 48 -3.002 -7.189 -1.550 1.00 1.13 H new ATOM 0 HA TYR A 48 -3.297 -6.955 -4.356 1.00 1.12 H new ATOM 0 HB2 TYR A 48 -1.070 -7.627 -4.484 1.00 1.36 H new ATOM 0 HB3 TYR A 48 -1.204 -6.677 -3.017 1.00 1.36 H new ATOM 0 HD1 TYR A 48 -2.364 -9.194 -1.334 1.00 2.62 H new ATOM 0 HD2 TYR A 48 1.077 -8.432 -3.808 1.00 2.12 H new ATOM 0 HE1 TYR A 48 -1.133 -11.032 -0.202 1.00 2.90 H new ATOM 0 HE2 TYR A 48 2.346 -10.165 -2.566 1.00 2.09 H new ATOM 0 HH TYR A 48 2.302 -11.716 -0.994 1.00 2.10 H new ATOM 739 N ASP A 49 -3.298 -9.388 -5.291 1.00 0.94 N ATOM 740 CA ASP A 49 -2.925 -10.744 -5.669 1.00 1.14 C ATOM 741 C ASP A 49 -1.434 -10.720 -6.036 1.00 1.05 C ATOM 742 O ASP A 49 -1.012 -9.810 -6.754 1.00 1.03 O ATOM 743 CB ASP A 49 -3.783 -11.249 -6.827 1.00 1.32 C ATOM 744 CG ASP A 49 -3.207 -12.561 -7.341 1.00 2.26 C ATOM 745 OD1 ASP A 49 -2.138 -12.499 -7.991 1.00 3.22 O ATOM 746 OD2 ASP A 49 -3.802 -13.603 -6.992 1.00 3.15 O ATOM 0 H ASP A 49 -3.397 -8.741 -6.073 1.00 0.94 H new ATOM 0 HA ASP A 49 -3.096 -11.434 -4.843 1.00 1.14 H new ATOM 0 HB2 ASP A 49 -4.812 -11.394 -6.497 1.00 1.32 H new ATOM 0 HB3 ASP A 49 -3.806 -10.510 -7.628 1.00 1.32 H new ATOM 751 N PRO A 50 -0.633 -11.677 -5.536 1.00 1.09 N ATOM 752 CA PRO A 50 0.811 -11.654 -5.673 1.00 1.10 C ATOM 753 C PRO A 50 1.313 -11.770 -7.114 1.00 1.28 C ATOM 754 O PRO A 50 2.386 -11.237 -7.394 1.00 2.14 O ATOM 755 CB PRO A 50 1.332 -12.806 -4.804 1.00 1.15 C ATOM 756 CG PRO A 50 0.152 -13.771 -4.747 1.00 1.18 C ATOM 757 CD PRO A 50 -1.045 -12.826 -4.743 1.00 1.21 C ATOM 0 HA PRO A 50 1.188 -10.684 -5.350 1.00 1.10 H new ATOM 0 HB2 PRO A 50 2.212 -13.274 -5.244 1.00 1.15 H new ATOM 0 HB3 PRO A 50 1.617 -12.462 -3.810 1.00 1.15 H new ATOM 0 HG2 PRO A 50 0.136 -14.444 -5.605 1.00 1.18 H new ATOM 0 HG3 PRO A 50 0.180 -14.395 -3.853 1.00 1.18 H new ATOM 0 HD2 PRO A 50 -1.925 -13.305 -5.173 1.00 1.21 H new ATOM 0 HD3 PRO A 50 -1.308 -12.529 -3.728 1.00 1.21 H new ATOM 765 N GLU A 51 0.622 -12.480 -8.021 1.00 1.01 N ATOM 766 CA GLU A 51 1.184 -12.683 -9.354 1.00 1.18 C ATOM 767 C GLU A 51 0.933 -11.455 -10.226 1.00 1.10 C ATOM 768 O GLU A 51 1.835 -11.000 -10.927 1.00 1.64 O ATOM 769 CB GLU A 51 0.756 -14.011 -10.001 1.00 1.51 C ATOM 770 CG GLU A 51 -0.748 -14.244 -10.185 1.00 1.68 C ATOM 771 CD GLU A 51 -0.997 -15.457 -11.074 1.00 2.07 C ATOM 772 OE1 GLU A 51 -0.524 -16.548 -10.688 1.00 2.50 O ATOM 773 OE2 GLU A 51 -1.619 -15.266 -12.141 1.00 2.97 O ATOM 0 H GLU A 51 -0.291 -12.906 -7.860 1.00 1.01 H new ATOM 0 HA GLU A 51 2.264 -12.787 -9.251 1.00 1.18 H new ATOM 0 HB2 GLU A 51 1.231 -14.080 -10.979 1.00 1.51 H new ATOM 0 HB3 GLU A 51 1.153 -14.826 -9.396 1.00 1.51 H new ATOM 0 HG2 GLU A 51 -1.220 -14.395 -9.214 1.00 1.68 H new ATOM 0 HG3 GLU A 51 -1.207 -13.361 -10.629 1.00 1.68 H new ATOM 780 N ILE A 52 -0.279 -10.896 -10.171 1.00 0.77 N ATOM 781 CA ILE A 52 -0.608 -9.706 -10.949 1.00 0.83 C ATOM 782 C ILE A 52 0.057 -8.449 -10.363 1.00 0.87 C ATOM 783 O ILE A 52 0.336 -7.518 -11.118 1.00 1.13 O ATOM 784 CB ILE A 52 -2.127 -9.601 -11.209 1.00 0.88 C ATOM 785 CG1 ILE A 52 -2.569 -8.288 -11.882 1.00 1.87 C ATOM 786 CG2 ILE A 52 -2.937 -9.827 -9.936 1.00 2.48 C ATOM 787 CD1 ILE A 52 -2.017 -8.145 -13.301 1.00 2.73 C ATOM 0 H ILE A 52 -1.044 -11.250 -9.597 1.00 0.77 H new ATOM 0 HA ILE A 52 -0.173 -9.799 -11.944 1.00 0.83 H new ATOM 0 HB ILE A 52 -2.335 -10.401 -11.920 1.00 0.88 H new ATOM 0 HG12 ILE A 52 -3.658 -8.248 -11.913 1.00 1.87 H new ATOM 0 HG13 ILE A 52 -2.236 -7.444 -11.279 1.00 1.87 H new ATOM 0 HG21 ILE A 52 -4.000 -9.745 -10.162 1.00 2.48 H new ATOM 0 HG22 ILE A 52 -2.726 -10.821 -9.542 1.00 2.48 H new ATOM 0 HG23 ILE A 52 -2.665 -9.077 -9.194 1.00 2.48 H new ATOM 0 HD11 ILE A 52 -2.358 -7.203 -13.731 1.00 2.73 H new ATOM 0 HD12 ILE A 52 -0.927 -8.157 -13.270 1.00 2.73 H new ATOM 0 HD13 ILE A 52 -2.372 -8.973 -13.915 1.00 2.73 H new ATOM 799 N ILE A 53 0.367 -8.396 -9.059 1.00 0.76 N ATOM 800 CA ILE A 53 1.236 -7.350 -8.531 1.00 0.73 C ATOM 801 C ILE A 53 2.043 -7.889 -7.349 1.00 0.86 C ATOM 802 O ILE A 53 1.478 -8.383 -6.377 1.00 1.38 O ATOM 803 CB ILE A 53 0.433 -6.072 -8.203 1.00 0.79 C ATOM 804 CG1 ILE A 53 1.398 -4.894 -8.029 1.00 1.61 C ATOM 805 CG2 ILE A 53 -0.422 -6.210 -6.937 1.00 0.90 C ATOM 806 CD1 ILE A 53 0.717 -3.531 -8.103 1.00 1.16 C ATOM 0 H ILE A 53 0.030 -9.060 -8.362 1.00 0.76 H new ATOM 0 HA ILE A 53 1.956 -7.054 -9.294 1.00 0.73 H new ATOM 0 HB ILE A 53 -0.247 -5.901 -9.037 1.00 0.79 H new ATOM 0 HG12 ILE A 53 1.902 -4.987 -7.067 1.00 1.61 H new ATOM 0 HG13 ILE A 53 2.168 -4.949 -8.799 1.00 1.61 H new ATOM 0 HG21 ILE A 53 -0.962 -5.280 -6.760 1.00 0.90 H new ATOM 0 HG22 ILE A 53 -1.135 -7.024 -7.066 1.00 0.90 H new ATOM 0 HG23 ILE A 53 0.222 -6.424 -6.084 1.00 0.90 H new ATOM 0 HD11 ILE A 53 1.461 -2.745 -7.972 1.00 1.16 H new ATOM 0 HD12 ILE A 53 0.236 -3.417 -9.075 1.00 1.16 H new ATOM 0 HD13 ILE A 53 -0.033 -3.456 -7.316 1.00 1.16 H new ATOM 818 N GLY A 54 3.371 -7.795 -7.411 1.00 0.83 N ATOM 819 CA GLY A 54 4.206 -8.229 -6.310 1.00 0.89 C ATOM 820 C GLY A 54 4.175 -7.181 -5.196 1.00 0.82 C ATOM 821 O GLY A 54 3.895 -6.006 -5.448 1.00 0.84 O ATOM 0 H GLY A 54 3.882 -7.423 -8.211 1.00 0.83 H new ATOM 0 HA2 GLY A 54 3.854 -9.188 -5.930 1.00 0.89 H new ATOM 0 HA3 GLY A 54 5.230 -8.378 -6.654 1.00 0.89 H new ATOM 825 N PRO A 55 4.525 -7.564 -3.958 1.00 0.86 N ATOM 826 CA PRO A 55 4.623 -6.620 -2.856 1.00 0.90 C ATOM 827 C PRO A 55 5.647 -5.540 -3.207 1.00 0.79 C ATOM 828 O PRO A 55 5.419 -4.353 -2.974 1.00 0.85 O ATOM 829 CB PRO A 55 5.027 -7.460 -1.641 1.00 1.06 C ATOM 830 CG PRO A 55 5.751 -8.667 -2.241 1.00 1.08 C ATOM 831 CD PRO A 55 5.062 -8.865 -3.594 1.00 0.98 C ATOM 0 HA PRO A 55 3.692 -6.092 -2.648 1.00 0.90 H new ATOM 0 HB2 PRO A 55 5.677 -6.900 -0.968 1.00 1.06 H new ATOM 0 HB3 PRO A 55 4.156 -7.766 -1.061 1.00 1.06 H new ATOM 0 HG2 PRO A 55 6.818 -8.477 -2.359 1.00 1.08 H new ATOM 0 HG3 PRO A 55 5.652 -9.549 -1.608 1.00 1.08 H new ATOM 0 HD2 PRO A 55 5.768 -9.221 -4.344 1.00 0.98 H new ATOM 0 HD3 PRO A 55 4.269 -9.610 -3.524 1.00 0.98 H new ATOM 839 N ARG A 56 6.745 -5.972 -3.840 1.00 0.69 N ATOM 840 CA ARG A 56 7.749 -5.119 -4.453 1.00 0.67 C ATOM 841 C ARG A 56 7.094 -3.951 -5.206 1.00 0.62 C ATOM 842 O ARG A 56 7.516 -2.816 -5.055 1.00 0.67 O ATOM 843 CB ARG A 56 8.656 -5.973 -5.369 1.00 0.86 C ATOM 844 CG ARG A 56 7.930 -6.338 -6.670 1.00 2.82 C ATOM 845 CD ARG A 56 8.571 -7.346 -7.617 1.00 4.13 C ATOM 846 NE ARG A 56 7.766 -7.312 -8.850 1.00 6.10 N ATOM 847 CZ ARG A 56 8.245 -7.231 -10.095 1.00 7.51 C ATOM 848 NH1 ARG A 56 9.386 -7.851 -10.408 1.00 7.79 N ATOM 849 NH2 ARG A 56 7.584 -6.507 -11.000 1.00 8.98 N ATOM 0 H ARG A 56 6.959 -6.965 -3.938 1.00 0.69 H new ATOM 0 HA ARG A 56 8.372 -4.674 -3.677 1.00 0.67 H new ATOM 0 HB2 ARG A 56 9.569 -5.423 -5.599 1.00 0.86 H new ATOM 0 HB3 ARG A 56 8.955 -6.882 -4.847 1.00 0.86 H new ATOM 0 HG2 ARG A 56 6.945 -6.720 -6.401 1.00 2.82 H new ATOM 0 HG3 ARG A 56 7.773 -5.415 -7.229 1.00 2.82 H new ATOM 0 HD2 ARG A 56 9.609 -7.084 -7.821 1.00 4.13 H new ATOM 0 HD3 ARG A 56 8.574 -8.345 -7.180 1.00 4.13 H new ATOM 0 HE ARG A 56 6.752 -7.354 -8.744 1.00 6.10 H new ATOM 0 HH11 ARG A 56 9.888 -8.384 -9.698 1.00 7.79 H new ATOM 0 HH12 ARG A 56 9.755 -7.792 -11.357 1.00 7.79 H new ATOM 0 HH21 ARG A 56 6.725 -6.024 -10.738 1.00 8.98 H new ATOM 0 HH22 ARG A 56 7.938 -6.436 -11.954 1.00 8.98 H new ATOM 863 N ASP A 57 6.088 -4.224 -6.044 1.00 0.61 N ATOM 864 CA ASP A 57 5.526 -3.264 -6.979 1.00 0.58 C ATOM 865 C ASP A 57 4.710 -2.225 -6.215 1.00 0.50 C ATOM 866 O ASP A 57 4.822 -1.022 -6.454 1.00 0.50 O ATOM 867 CB ASP A 57 4.692 -3.997 -8.032 1.00 0.64 C ATOM 868 CG ASP A 57 5.482 -5.021 -8.835 1.00 1.22 C ATOM 869 OD1 ASP A 57 6.325 -4.613 -9.661 1.00 2.29 O ATOM 870 OD2 ASP A 57 5.280 -6.236 -8.609 1.00 2.31 O ATOM 0 H ASP A 57 5.638 -5.139 -6.086 1.00 0.61 H new ATOM 0 HA ASP A 57 6.323 -2.736 -7.503 1.00 0.58 H new ATOM 0 HB2 ASP A 57 3.860 -4.499 -7.538 1.00 0.64 H new ATOM 0 HB3 ASP A 57 4.262 -3.265 -8.716 1.00 0.64 H new ATOM 875 N ILE A 58 3.888 -2.692 -5.273 1.00 0.48 N ATOM 876 CA ILE A 58 3.165 -1.818 -4.355 1.00 0.47 C ATOM 877 C ILE A 58 4.164 -0.892 -3.656 1.00 0.44 C ATOM 878 O ILE A 58 3.995 0.330 -3.669 1.00 0.43 O ATOM 879 CB ILE A 58 2.328 -2.674 -3.386 1.00 0.51 C ATOM 880 CG1 ILE A 58 1.145 -3.290 -4.147 1.00 0.52 C ATOM 881 CG2 ILE A 58 1.812 -1.882 -2.178 1.00 0.61 C ATOM 882 CD1 ILE A 58 0.859 -4.713 -3.672 1.00 0.62 C ATOM 0 H ILE A 58 3.707 -3.685 -5.127 1.00 0.48 H new ATOM 0 HA ILE A 58 2.461 -1.178 -4.887 1.00 0.47 H new ATOM 0 HB ILE A 58 2.982 -3.453 -2.995 1.00 0.51 H new ATOM 0 HG12 ILE A 58 0.258 -2.672 -4.006 1.00 0.52 H new ATOM 0 HG13 ILE A 58 1.362 -3.298 -5.215 1.00 0.52 H new ATOM 0 HG21 ILE A 58 1.230 -2.540 -1.533 1.00 0.61 H new ATOM 0 HG22 ILE A 58 2.657 -1.480 -1.619 1.00 0.61 H new ATOM 0 HG23 ILE A 58 1.182 -1.062 -2.523 1.00 0.61 H new ATOM 0 HD11 ILE A 58 0.016 -5.120 -4.230 1.00 0.62 H new ATOM 0 HD12 ILE A 58 1.739 -5.335 -3.837 1.00 0.62 H new ATOM 0 HD13 ILE A 58 0.618 -4.700 -2.609 1.00 0.62 H new ATOM 894 N ILE A 59 5.230 -1.463 -3.092 1.00 0.46 N ATOM 895 CA ILE A 59 6.290 -0.682 -2.469 1.00 0.50 C ATOM 896 C ILE A 59 6.860 0.344 -3.466 1.00 0.48 C ATOM 897 O ILE A 59 6.861 1.538 -3.174 1.00 0.52 O ATOM 898 CB ILE A 59 7.328 -1.637 -1.857 1.00 0.58 C ATOM 899 CG1 ILE A 59 6.705 -2.378 -0.659 1.00 0.74 C ATOM 900 CG2 ILE A 59 8.573 -0.871 -1.409 1.00 0.65 C ATOM 901 CD1 ILE A 59 7.451 -3.674 -0.338 1.00 1.11 C ATOM 0 H ILE A 59 5.379 -2.471 -3.056 1.00 0.46 H new ATOM 0 HA ILE A 59 5.903 -0.084 -1.644 1.00 0.50 H new ATOM 0 HB ILE A 59 7.627 -2.360 -2.616 1.00 0.58 H new ATOM 0 HG12 ILE A 59 6.715 -1.727 0.215 1.00 0.74 H new ATOM 0 HG13 ILE A 59 5.661 -2.604 -0.875 1.00 0.74 H new ATOM 0 HG21 ILE A 59 9.293 -1.567 -0.979 1.00 0.65 H new ATOM 0 HG22 ILE A 59 9.020 -0.370 -2.267 1.00 0.65 H new ATOM 0 HG23 ILE A 59 8.294 -0.129 -0.660 1.00 0.65 H new ATOM 0 HD11 ILE A 59 6.979 -4.165 0.513 1.00 1.11 H new ATOM 0 HD12 ILE A 59 7.418 -4.337 -1.203 1.00 1.11 H new ATOM 0 HD13 ILE A 59 8.489 -3.446 -0.095 1.00 1.11 H new ATOM 913 N HIS A 60 7.267 -0.090 -4.665 1.00 0.50 N ATOM 914 CA HIS A 60 7.777 0.793 -5.711 1.00 0.56 C ATOM 915 C HIS A 60 6.802 1.941 -5.978 1.00 0.50 C ATOM 916 O HIS A 60 7.219 3.073 -6.209 1.00 0.56 O ATOM 917 CB HIS A 60 8.028 0.037 -7.027 1.00 0.70 C ATOM 918 CG HIS A 60 8.963 -1.148 -6.972 1.00 1.34 C ATOM 919 ND1 HIS A 60 8.916 -2.230 -7.826 1.00 2.51 N ATOM 920 CD2 HIS A 60 10.001 -1.355 -6.100 1.00 2.19 C ATOM 921 CE1 HIS A 60 9.901 -3.069 -7.470 1.00 3.44 C ATOM 922 NE2 HIS A 60 10.591 -2.584 -6.427 1.00 3.34 N ATOM 0 H HIS A 60 7.250 -1.073 -4.935 1.00 0.50 H new ATOM 0 HA HIS A 60 8.725 1.191 -5.349 1.00 0.56 H new ATOM 0 HB2 HIS A 60 7.067 -0.308 -7.408 1.00 0.70 H new ATOM 0 HB3 HIS A 60 8.423 0.746 -7.755 1.00 0.70 H new ATOM 0 HD2 HIS A 60 10.308 -0.691 -5.305 1.00 2.19 H new ATOM 0 HE1 HIS A 60 10.110 -4.009 -7.958 1.00 3.44 H new ATOM 0 HE2 HIS A 60 11.387 -3.022 -5.964 1.00 3.34 H new ATOM 930 N THR A 61 5.497 1.659 -5.972 1.00 0.45 N ATOM 931 CA THR A 61 4.483 2.675 -6.211 1.00 0.46 C ATOM 932 C THR A 61 4.523 3.704 -5.078 1.00 0.46 C ATOM 933 O THR A 61 4.596 4.908 -5.324 1.00 0.55 O ATOM 934 CB THR A 61 3.102 2.018 -6.367 1.00 0.50 C ATOM 935 OG1 THR A 61 3.164 1.006 -7.352 1.00 0.71 O ATOM 936 CG2 THR A 61 2.045 3.034 -6.805 1.00 0.69 C ATOM 0 H THR A 61 5.121 0.726 -5.802 1.00 0.45 H new ATOM 0 HA THR A 61 4.687 3.202 -7.143 1.00 0.46 H new ATOM 0 HB THR A 61 2.825 1.605 -5.397 1.00 0.50 H new ATOM 0 HG1 THR A 61 3.672 0.243 -7.005 1.00 0.71 H new ATOM 0 HG21 THR A 61 1.081 2.536 -6.906 1.00 0.69 H new ATOM 0 HG22 THR A 61 1.969 3.824 -6.058 1.00 0.69 H new ATOM 0 HG23 THR A 61 2.331 3.467 -7.764 1.00 0.69 H new ATOM 944 N ILE A 62 4.495 3.224 -3.835 1.00 0.43 N ATOM 945 CA ILE A 62 4.560 4.050 -2.636 1.00 0.47 C ATOM 946 C ILE A 62 5.810 4.951 -2.666 1.00 0.53 C ATOM 947 O ILE A 62 5.702 6.166 -2.451 1.00 0.59 O ATOM 948 CB ILE A 62 4.467 3.112 -1.416 1.00 0.46 C ATOM 949 CG1 ILE A 62 3.030 2.575 -1.306 1.00 0.50 C ATOM 950 CG2 ILE A 62 4.833 3.807 -0.103 1.00 0.61 C ATOM 951 CD1 ILE A 62 2.914 1.346 -0.402 1.00 1.26 C ATOM 0 H ILE A 62 4.425 2.227 -3.632 1.00 0.43 H new ATOM 0 HA ILE A 62 3.725 4.748 -2.576 1.00 0.47 H new ATOM 0 HB ILE A 62 5.184 2.306 -1.572 1.00 0.46 H new ATOM 0 HG12 ILE A 62 2.383 3.363 -0.922 1.00 0.50 H new ATOM 0 HG13 ILE A 62 2.666 2.321 -2.302 1.00 0.50 H new ATOM 0 HG21 ILE A 62 4.749 3.097 0.720 1.00 0.61 H new ATOM 0 HG22 ILE A 62 5.857 4.177 -0.160 1.00 0.61 H new ATOM 0 HG23 ILE A 62 4.154 4.643 0.068 1.00 0.61 H new ATOM 0 HD11 ILE A 62 1.875 1.017 -0.367 1.00 1.26 H new ATOM 0 HD12 ILE A 62 3.536 0.543 -0.798 1.00 1.26 H new ATOM 0 HD13 ILE A 62 3.248 1.601 0.604 1.00 1.26 H new ATOM 963 N GLU A 63 6.976 4.372 -2.968 1.00 0.58 N ATOM 964 CA GLU A 63 8.218 5.112 -3.163 1.00 0.76 C ATOM 965 C GLU A 63 8.044 6.173 -4.251 1.00 0.75 C ATOM 966 O GLU A 63 8.267 7.358 -4.008 1.00 0.87 O ATOM 967 CB GLU A 63 9.356 4.151 -3.532 1.00 0.93 C ATOM 968 CG GLU A 63 9.735 3.209 -2.384 1.00 0.91 C ATOM 969 CD GLU A 63 10.847 2.267 -2.822 1.00 1.09 C ATOM 970 OE1 GLU A 63 10.522 1.319 -3.567 1.00 1.83 O ATOM 971 OE2 GLU A 63 12.005 2.532 -2.436 1.00 2.14 O ATOM 0 H GLU A 63 7.081 3.364 -3.084 1.00 0.58 H new ATOM 0 HA GLU A 63 8.473 5.614 -2.230 1.00 0.76 H new ATOM 0 HB2 GLU A 63 9.059 3.559 -4.398 1.00 0.93 H new ATOM 0 HB3 GLU A 63 10.232 4.729 -3.826 1.00 0.93 H new ATOM 0 HG2 GLU A 63 10.059 3.789 -1.520 1.00 0.91 H new ATOM 0 HG3 GLU A 63 8.863 2.634 -2.073 1.00 0.91 H new ATOM 978 N SER A 64 7.646 5.733 -5.448 1.00 0.69 N ATOM 979 CA SER A 64 7.474 6.571 -6.627 1.00 0.78 C ATOM 980 C SER A 64 6.604 7.788 -6.309 1.00 0.72 C ATOM 981 O SER A 64 6.933 8.903 -6.705 1.00 0.78 O ATOM 982 CB SER A 64 6.897 5.728 -7.773 1.00 0.81 C ATOM 983 OG SER A 64 6.819 6.474 -8.971 1.00 1.50 O ATOM 0 H SER A 64 7.429 4.752 -5.624 1.00 0.69 H new ATOM 0 HA SER A 64 8.443 6.956 -6.944 1.00 0.78 H new ATOM 0 HB2 SER A 64 7.521 4.848 -7.930 1.00 0.81 H new ATOM 0 HB3 SER A 64 5.904 5.370 -7.500 1.00 0.81 H new ATOM 0 HG SER A 64 6.450 5.911 -9.683 1.00 1.50 H new ATOM 989 N LEU A 65 5.506 7.585 -5.572 1.00 0.71 N ATOM 990 CA LEU A 65 4.711 8.689 -5.064 1.00 0.67 C ATOM 991 C LEU A 65 5.559 9.587 -4.161 1.00 0.73 C ATOM 992 O LEU A 65 5.835 10.731 -4.520 1.00 1.04 O ATOM 993 CB LEU A 65 3.466 8.170 -4.327 1.00 0.69 C ATOM 994 CG LEU A 65 2.233 8.142 -5.236 1.00 0.86 C ATOM 995 CD1 LEU A 65 2.351 7.130 -6.379 1.00 2.16 C ATOM 996 CD2 LEU A 65 0.990 7.824 -4.402 1.00 2.17 C ATOM 0 H LEU A 65 5.154 6.662 -5.318 1.00 0.71 H new ATOM 0 HA LEU A 65 4.369 9.288 -5.908 1.00 0.67 H new ATOM 0 HB2 LEU A 65 3.660 7.167 -3.948 1.00 0.69 H new ATOM 0 HB3 LEU A 65 3.265 8.803 -3.463 1.00 0.69 H new ATOM 0 HG LEU A 65 2.152 9.129 -5.691 1.00 0.86 H new ATOM 0 HD11 LEU A 65 1.446 7.159 -6.986 1.00 2.16 H new ATOM 0 HD12 LEU A 65 3.212 7.380 -6.999 1.00 2.16 H new ATOM 0 HD13 LEU A 65 2.479 6.129 -5.967 1.00 2.16 H new ATOM 0 HD21 LEU A 65 0.113 7.804 -5.049 1.00 2.17 H new ATOM 0 HD22 LEU A 65 1.111 6.851 -3.925 1.00 2.17 H new ATOM 0 HD23 LEU A 65 0.859 8.590 -3.637 1.00 2.17 H new ATOM 1008 N GLY A 66 5.871 9.129 -2.946 1.00 0.71 N ATOM 1009 CA GLY A 66 6.714 9.925 -2.058 1.00 0.78 C ATOM 1010 C GLY A 66 7.390 9.201 -0.893 1.00 0.81 C ATOM 1011 O GLY A 66 8.062 9.866 -0.105 1.00 1.18 O ATOM 0 H GLY A 66 5.561 8.235 -2.564 1.00 0.71 H new ATOM 0 HA2 GLY A 66 7.492 10.392 -2.662 1.00 0.78 H new ATOM 0 HA3 GLY A 66 6.104 10.729 -1.646 1.00 0.78 H new ATOM 1015 N PHE A 67 7.109 7.917 -0.658 1.00 0.66 N ATOM 1016 CA PHE A 67 6.894 7.461 0.712 1.00 0.51 C ATOM 1017 C PHE A 67 7.692 6.200 1.055 1.00 0.58 C ATOM 1018 O PHE A 67 8.302 5.582 0.191 1.00 0.88 O ATOM 1019 CB PHE A 67 5.389 7.234 0.874 1.00 0.50 C ATOM 1020 CG PHE A 67 4.509 8.398 0.459 1.00 0.56 C ATOM 1021 CD1 PHE A 67 4.693 9.668 1.036 1.00 1.70 C ATOM 1022 CD2 PHE A 67 3.504 8.212 -0.508 1.00 1.52 C ATOM 1023 CE1 PHE A 67 3.829 10.725 0.703 1.00 1.74 C ATOM 1024 CE2 PHE A 67 2.612 9.255 -0.805 1.00 1.50 C ATOM 1025 CZ PHE A 67 2.766 10.506 -0.189 1.00 0.63 C ATOM 0 H PHE A 67 7.027 7.196 -1.375 1.00 0.66 H new ATOM 0 HA PHE A 67 7.255 8.217 1.410 1.00 0.51 H new ATOM 0 HB2 PHE A 67 5.105 6.359 0.289 1.00 0.50 H new ATOM 0 HB3 PHE A 67 5.184 6.999 1.919 1.00 0.50 H new ATOM 0 HD1 PHE A 67 5.499 9.831 1.736 1.00 1.70 H new ATOM 0 HD2 PHE A 67 3.419 7.266 -1.022 1.00 1.52 H new ATOM 0 HE1 PHE A 67 3.982 11.704 1.132 1.00 1.74 H new ATOM 0 HE2 PHE A 67 1.808 9.094 -1.507 1.00 1.50 H new ATOM 0 HZ PHE A 67 2.067 11.301 -0.401 1.00 0.63 H new ATOM 1035 N GLU A 68 7.667 5.824 2.335 1.00 0.50 N ATOM 1036 CA GLU A 68 8.313 4.635 2.872 1.00 0.64 C ATOM 1037 C GLU A 68 7.253 3.536 2.913 1.00 0.71 C ATOM 1038 O GLU A 68 6.079 3.851 3.131 1.00 1.01 O ATOM 1039 CB GLU A 68 8.801 4.963 4.294 1.00 1.09 C ATOM 1040 CG GLU A 68 9.996 4.138 4.787 1.00 2.01 C ATOM 1041 CD GLU A 68 9.689 2.654 4.925 1.00 3.58 C ATOM 1042 OE1 GLU A 68 9.094 2.269 5.956 1.00 4.35 O ATOM 1043 OE2 GLU A 68 10.006 1.933 3.958 1.00 4.80 O ATOM 0 H GLU A 68 7.177 6.363 3.049 1.00 0.50 H new ATOM 0 HA GLU A 68 9.163 4.314 2.269 1.00 0.64 H new ATOM 0 HB2 GLU A 68 9.069 6.019 4.333 1.00 1.09 H new ATOM 0 HB3 GLU A 68 7.972 4.819 4.987 1.00 1.09 H new ATOM 0 HG2 GLU A 68 10.828 4.267 4.094 1.00 2.01 H new ATOM 0 HG3 GLU A 68 10.322 4.525 5.752 1.00 2.01 H new ATOM 1050 N ALA A 69 7.656 2.273 2.775 1.00 0.66 N ATOM 1051 CA ALA A 69 6.829 1.146 3.155 1.00 0.70 C ATOM 1052 C ALA A 69 7.675 -0.040 3.605 1.00 0.84 C ATOM 1053 O ALA A 69 8.491 -0.558 2.845 1.00 1.54 O ATOM 1054 CB ALA A 69 5.915 0.704 2.021 1.00 1.03 C ATOM 0 H ALA A 69 8.566 2.011 2.396 1.00 0.66 H new ATOM 0 HA ALA A 69 6.214 1.486 3.989 1.00 0.70 H new ATOM 0 HB1 ALA A 69 5.313 -0.143 2.348 1.00 1.03 H new ATOM 0 HB2 ALA A 69 5.260 1.528 1.740 1.00 1.03 H new ATOM 0 HB3 ALA A 69 6.518 0.410 1.162 1.00 1.03 H new ATOM 1060 N SER A 70 7.398 -0.520 4.814 1.00 0.61 N ATOM 1061 CA SER A 70 8.118 -1.602 5.466 1.00 0.77 C ATOM 1062 C SER A 70 7.113 -2.649 5.962 1.00 0.74 C ATOM 1063 O SER A 70 6.194 -2.324 6.704 1.00 0.83 O ATOM 1064 CB SER A 70 8.986 -1.004 6.584 1.00 1.00 C ATOM 1065 OG SER A 70 8.335 0.064 7.248 1.00 2.12 O ATOM 0 H SER A 70 6.638 -0.151 5.385 1.00 0.61 H new ATOM 0 HA SER A 70 8.787 -2.117 4.777 1.00 0.77 H new ATOM 0 HB2 SER A 70 9.234 -1.782 7.306 1.00 1.00 H new ATOM 0 HB3 SER A 70 9.926 -0.649 6.162 1.00 1.00 H new ATOM 0 HG SER A 70 8.430 0.884 6.720 1.00 2.12 H new ATOM 1071 N LEU A 71 7.244 -3.909 5.525 1.00 0.80 N ATOM 1072 CA LEU A 71 6.261 -4.967 5.783 1.00 0.80 C ATOM 1073 C LEU A 71 5.954 -5.170 7.268 1.00 0.91 C ATOM 1074 O LEU A 71 4.792 -5.351 7.620 1.00 2.62 O ATOM 1075 CB LEU A 71 6.667 -6.259 5.059 1.00 1.00 C ATOM 1076 CG LEU A 71 7.995 -6.882 5.532 1.00 1.88 C ATOM 1077 CD1 LEU A 71 7.750 -8.036 6.513 1.00 3.02 C ATOM 1078 CD2 LEU A 71 8.777 -7.424 4.330 1.00 2.55 C ATOM 0 H LEU A 71 8.044 -4.224 4.977 1.00 0.80 H new ATOM 0 HA LEU A 71 5.310 -4.639 5.364 1.00 0.80 H new ATOM 0 HB2 LEU A 71 5.872 -6.994 5.187 1.00 1.00 H new ATOM 0 HB3 LEU A 71 6.740 -6.052 3.991 1.00 1.00 H new ATOM 0 HG LEU A 71 8.565 -6.101 6.035 1.00 1.88 H new ATOM 0 HD11 LEU A 71 8.706 -8.455 6.828 1.00 3.02 H new ATOM 0 HD12 LEU A 71 7.211 -7.664 7.385 1.00 3.02 H new ATOM 0 HD13 LEU A 71 7.159 -8.810 6.024 1.00 3.02 H new ATOM 0 HD21 LEU A 71 9.714 -7.862 4.673 1.00 2.55 H new ATOM 0 HD22 LEU A 71 8.184 -8.186 3.824 1.00 2.55 H new ATOM 0 HD23 LEU A 71 8.990 -6.610 3.637 1.00 2.55 H new