USER MOD reduce.3.24.130724 H: found=0, std=0, add=555, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 553 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 15 ASN :FLIP amide:sc= -0.829 F(o=-1.5,f=-0.44) USER MOD Set 1.2: A 52 SER OG : rot 131:sc= 0.386 USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HD1:sc= 0 X(o=0,f=-0.0021) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 HIS : no HE2:sc= -6.62! C(o=-6.6!,f=-7.3!) USER MOD Single : A 23 HIS : no HD1:sc= -0.24 X(o=-0.24,f=-0.54) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -1.04 K(o=-1,f=-5!) USER MOD Single : A 33 ASN : amide:sc= -0.499 X(o=-0.5,f=-0.14) USER MOD Single : A 36 LYS NZ :NH3+ -154:sc= 0.296 (180deg=-0.685) USER MOD Single : A 38 GLN : amide:sc= -0.0157 X(o=-0.016,f=-0.16) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 40:sc= 0.18 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -0.46 K(o=-0.46,f=-2.2) USER MOD Single : A 62 GLN : amide:sc= -0.294 K(o=-0.29,f=-1.4!) USER MOD Single : A 65 GLN : amide:sc= -1.55 X(o=-1.6,f=-2) USER MOD Single : A 66 GLN : amide:sc= -0.148 K(o=-0.15,f=-2.5!) USER MOD Single : A 68 LYS NZ :NH3+ -156:sc= 0 (180deg=-0.244) USER MOD ----------------------------------------------------------------- ATOM 58 N MET A 9 -15.383 -5.881 2.583 1.00 1.18 N ATOM 59 CA MET A 9 -14.050 -5.307 2.446 1.00 0.82 C ATOM 60 C MET A 9 -13.304 -5.960 1.290 1.00 0.72 C ATOM 61 O MET A 9 -13.684 -7.033 0.821 1.00 0.97 O ATOM 62 CB MET A 9 -13.266 -5.496 3.741 1.00 1.08 C ATOM 63 CG MET A 9 -13.251 -4.223 4.580 1.00 1.61 C ATOM 64 SD MET A 9 -11.873 -4.175 5.738 1.00 2.27 S ATOM 65 CE MET A 9 -12.745 -4.297 7.308 1.00 2.82 C ATOM 0 HA MET A 9 -14.151 -4.242 2.239 1.00 0.82 H new ATOM 0 HB2 MET A 9 -13.708 -6.308 4.319 1.00 1.08 H new ATOM 0 HB3 MET A 9 -12.243 -5.791 3.508 1.00 1.08 H new ATOM 0 HG2 MET A 9 -13.197 -3.357 3.920 1.00 1.61 H new ATOM 0 HG3 MET A 9 -14.188 -4.145 5.132 1.00 1.61 H new ATOM 0 HE1 MET A 9 -12.025 -4.280 8.126 1.00 2.82 H new ATOM 0 HE2 MET A 9 -13.430 -3.455 7.410 1.00 2.82 H new ATOM 0 HE3 MET A 9 -13.309 -5.229 7.340 1.00 2.82 H new ATOM 75 N ASP A 10 -12.242 -5.307 0.830 1.00 0.49 N ATOM 76 CA ASP A 10 -11.445 -5.823 -0.274 1.00 0.42 C ATOM 77 C ASP A 10 -9.958 -5.671 0.016 1.00 0.38 C ATOM 78 O ASP A 10 -9.514 -4.635 0.513 1.00 0.54 O ATOM 79 CB ASP A 10 -11.800 -5.078 -1.557 1.00 0.44 C ATOM 80 CG ASP A 10 -13.288 -5.207 -1.850 1.00 0.86 C ATOM 81 OD1 ASP A 10 -14.078 -4.426 -1.279 1.00 1.53 O ATOM 82 OD2 ASP A 10 -13.664 -6.089 -2.651 1.00 1.55 O ATOM 0 H ASP A 10 -11.914 -4.418 1.206 1.00 0.49 H new ATOM 0 HA ASP A 10 -11.666 -6.883 -0.395 1.00 0.42 H new ATOM 0 HB2 ASP A 10 -11.532 -4.026 -1.461 1.00 0.44 H new ATOM 0 HB3 ASP A 10 -11.223 -5.479 -2.390 1.00 0.44 H new ATOM 87 N TYR A 11 -9.189 -6.707 -0.306 1.00 0.40 N ATOM 88 CA TYR A 11 -7.747 -6.691 -0.089 1.00 0.37 C ATOM 89 C TYR A 11 -7.016 -7.068 -1.372 1.00 0.34 C ATOM 90 O TYR A 11 -7.634 -7.514 -2.339 1.00 0.38 O ATOM 91 CB TYR A 11 -7.373 -7.658 1.034 1.00 0.42 C ATOM 92 CG TYR A 11 -7.516 -9.109 0.640 1.00 0.48 C ATOM 93 CD1 TYR A 11 -8.718 -9.767 0.830 1.00 0.54 C ATOM 94 CD2 TYR A 11 -6.444 -9.786 0.088 1.00 0.57 C ATOM 95 CE1 TYR A 11 -8.848 -11.095 0.467 1.00 0.63 C ATOM 96 CE2 TYR A 11 -6.572 -11.115 -0.275 1.00 0.67 C ATOM 97 CZ TYR A 11 -7.775 -11.764 -0.084 1.00 0.67 C ATOM 98 OH TYR A 11 -7.904 -13.085 -0.444 1.00 0.78 O ATOM 0 H TYR A 11 -9.542 -7.570 -0.719 1.00 0.40 H new ATOM 0 HA TYR A 11 -7.448 -5.684 0.200 1.00 0.37 H new ATOM 0 HB2 TYR A 11 -6.343 -7.470 1.339 1.00 0.42 H new ATOM 0 HB3 TYR A 11 -8.003 -7.460 1.901 1.00 0.42 H new ATOM 0 HD1 TYR A 11 -9.557 -9.242 1.263 1.00 0.54 H new ATOM 0 HD2 TYR A 11 -5.504 -9.276 -0.060 1.00 0.57 H new ATOM 0 HE1 TYR A 11 -9.787 -11.607 0.615 1.00 0.63 H new ATOM 0 HE2 TYR A 11 -5.734 -11.642 -0.706 1.00 0.67 H new ATOM 0 HH TYR A 11 -7.057 -13.407 -0.817 1.00 0.78 H new ATOM 108 N VAL A 12 -5.700 -6.885 -1.378 1.00 0.34 N ATOM 109 CA VAL A 12 -4.894 -7.208 -2.547 1.00 0.34 C ATOM 110 C VAL A 12 -3.413 -7.003 -2.253 1.00 0.35 C ATOM 111 O VAL A 12 -3.030 -6.057 -1.566 1.00 0.51 O ATOM 112 CB VAL A 12 -5.318 -6.334 -3.725 1.00 0.38 C ATOM 113 CG1 VAL A 12 -5.255 -4.856 -3.351 1.00 0.52 C ATOM 114 CG2 VAL A 12 -4.455 -6.619 -4.950 1.00 0.81 C ATOM 0 H VAL A 12 -5.171 -6.516 -0.588 1.00 0.34 H new ATOM 0 HA VAL A 12 -5.053 -8.256 -2.800 1.00 0.34 H new ATOM 0 HB VAL A 12 -6.351 -6.578 -3.974 1.00 0.38 H new ATOM 0 HG11 VAL A 12 -5.561 -4.251 -4.205 1.00 0.52 H new ATOM 0 HG12 VAL A 12 -5.924 -4.664 -2.512 1.00 0.52 H new ATOM 0 HG13 VAL A 12 -4.235 -4.595 -3.069 1.00 0.52 H new ATOM 0 HG21 VAL A 12 -4.776 -5.985 -5.776 1.00 0.81 H new ATOM 0 HG22 VAL A 12 -3.411 -6.410 -4.716 1.00 0.81 H new ATOM 0 HG23 VAL A 12 -4.561 -7.666 -5.234 1.00 0.81 H new ATOM 124 N GLU A 13 -2.583 -7.897 -2.781 1.00 0.49 N ATOM 125 CA GLU A 13 -1.141 -7.818 -2.580 1.00 0.54 C ATOM 126 C GLU A 13 -0.457 -7.351 -3.859 1.00 0.50 C ATOM 127 O GLU A 13 -0.834 -7.757 -4.958 1.00 0.60 O ATOM 128 CB GLU A 13 -0.591 -9.182 -2.168 1.00 0.67 C ATOM 129 CG GLU A 13 -1.522 -9.897 -1.191 1.00 1.05 C ATOM 130 CD GLU A 13 -0.854 -11.155 -0.649 1.00 1.43 C ATOM 131 OE1 GLU A 13 0.082 -11.660 -1.302 1.00 2.05 O ATOM 132 OE2 GLU A 13 -1.269 -11.632 0.428 1.00 1.97 O ATOM 0 H GLU A 13 -2.885 -8.686 -3.352 1.00 0.49 H new ATOM 0 HA GLU A 13 -0.939 -7.099 -1.786 1.00 0.54 H new ATOM 0 HB2 GLU A 13 -0.450 -9.800 -3.055 1.00 0.67 H new ATOM 0 HB3 GLU A 13 0.390 -9.055 -1.709 1.00 0.67 H new ATOM 0 HG2 GLU A 13 -1.779 -9.230 -0.368 1.00 1.05 H new ATOM 0 HG3 GLU A 13 -2.454 -10.159 -1.692 1.00 1.05 H new ATOM 139 N ILE A 14 0.548 -6.493 -3.711 1.00 0.48 N ATOM 140 CA ILE A 14 1.280 -5.968 -4.858 1.00 0.49 C ATOM 141 C ILE A 14 2.754 -6.333 -4.774 1.00 0.48 C ATOM 142 O ILE A 14 3.421 -6.044 -3.780 1.00 0.43 O ATOM 143 CB ILE A 14 1.130 -4.453 -4.924 1.00 0.52 C ATOM 144 CG1 ILE A 14 1.381 -3.827 -3.555 1.00 0.51 C ATOM 145 CG2 ILE A 14 -0.249 -4.068 -5.443 1.00 0.64 C ATOM 146 CD1 ILE A 14 1.236 -2.308 -3.598 1.00 0.63 C ATOM 0 H ILE A 14 0.874 -6.147 -2.808 1.00 0.48 H new ATOM 0 HA ILE A 14 0.863 -6.414 -5.761 1.00 0.49 H new ATOM 0 HB ILE A 14 1.876 -4.069 -5.620 1.00 0.52 H new ATOM 0 HG12 ILE A 14 0.679 -4.240 -2.831 1.00 0.51 H new ATOM 0 HG13 ILE A 14 2.382 -4.088 -3.213 1.00 0.51 H new ATOM 0 HG21 ILE A 14 -0.333 -2.982 -5.482 1.00 0.64 H new ATOM 0 HG22 ILE A 14 -0.389 -4.478 -6.443 1.00 0.64 H new ATOM 0 HG23 ILE A 14 -1.013 -4.468 -4.776 1.00 0.64 H new ATOM 0 HD11 ILE A 14 1.422 -1.897 -2.606 1.00 0.63 H new ATOM 0 HD12 ILE A 14 1.956 -1.894 -4.303 1.00 0.63 H new ATOM 0 HD13 ILE A 14 0.226 -2.048 -3.916 1.00 0.63 H new ATOM 158 N ASN A 15 3.263 -6.958 -5.831 1.00 0.59 N ATOM 159 CA ASN A 15 4.663 -7.351 -5.886 1.00 0.62 C ATOM 160 C ASN A 15 5.532 -6.127 -6.132 1.00 0.60 C ATOM 161 O ASN A 15 5.696 -5.687 -7.270 1.00 0.78 O ATOM 162 CB ASN A 15 4.876 -8.373 -6.997 1.00 0.79 C ATOM 163 CG ASN A 15 5.615 -9.591 -6.460 1.00 1.31 C ATOM 164 OD1 ASN A 15 6.636 -9.354 -5.646 1.00 2.20 O flip ATOM 165 ND2 ASN A 15 5.268 -10.730 -6.774 1.00 1.54 N flip ATOM 0 H ASN A 15 2.724 -7.203 -6.662 1.00 0.59 H new ATOM 0 HA ASN A 15 4.943 -7.802 -4.934 1.00 0.62 H new ATOM 0 HB2 ASN A 15 3.914 -8.676 -7.411 1.00 0.79 H new ATOM 0 HB3 ASN A 15 5.445 -7.923 -7.810 1.00 0.79 H new ATOM 0 HD21 ASN A 15 4.477 -10.867 -7.403 1.00 1.54 H new ATOM 0 HD22 ASN A 15 5.772 -11.537 -6.405 1.00 1.54 H new ATOM 172 N ILE A 16 6.078 -5.573 -5.058 1.00 0.49 N ATOM 173 CA ILE A 16 6.918 -4.387 -5.153 1.00 0.49 C ATOM 174 C ILE A 16 8.374 -4.728 -4.868 1.00 0.56 C ATOM 175 O ILE A 16 8.671 -5.607 -4.057 1.00 0.66 O ATOM 176 CB ILE A 16 6.431 -3.336 -4.167 1.00 0.48 C ATOM 177 CG1 ILE A 16 4.922 -3.120 -4.314 1.00 0.63 C ATOM 178 CG2 ILE A 16 7.194 -2.028 -4.352 1.00 0.58 C ATOM 179 CD1 ILE A 16 4.577 -2.331 -5.575 1.00 0.84 C ATOM 0 H ILE A 16 5.954 -5.927 -4.109 1.00 0.49 H new ATOM 0 HA ILE A 16 6.851 -3.995 -6.168 1.00 0.49 H new ATOM 0 HB ILE A 16 6.624 -3.695 -3.156 1.00 0.48 H new ATOM 0 HG12 ILE A 16 4.419 -4.086 -4.342 1.00 0.63 H new ATOM 0 HG13 ILE A 16 4.545 -2.589 -3.440 1.00 0.63 H new ATOM 0 HG21 ILE A 16 6.830 -1.290 -3.637 1.00 0.58 H new ATOM 0 HG22 ILE A 16 8.257 -2.200 -4.186 1.00 0.58 H new ATOM 0 HG23 ILE A 16 7.041 -1.657 -5.366 1.00 0.58 H new ATOM 0 HD11 ILE A 16 3.497 -2.201 -5.639 1.00 0.84 H new ATOM 0 HD12 ILE A 16 5.058 -1.354 -5.536 1.00 0.84 H new ATOM 0 HD13 ILE A 16 4.930 -2.874 -6.452 1.00 0.84 H new ATOM 191 N ASP A 17 9.280 -4.031 -5.545 1.00 0.63 N ATOM 192 CA ASP A 17 10.707 -4.259 -5.373 1.00 0.75 C ATOM 193 C ASP A 17 11.512 -3.159 -6.053 1.00 1.00 C ATOM 194 O ASP A 17 11.896 -3.284 -7.216 1.00 1.75 O ATOM 195 CB ASP A 17 11.076 -5.608 -5.967 1.00 1.27 C ATOM 196 CG ASP A 17 10.104 -5.987 -7.076 1.00 1.63 C ATOM 197 OD1 ASP A 17 9.711 -5.093 -7.854 1.00 2.21 O ATOM 198 OD2 ASP A 17 9.736 -7.178 -7.163 1.00 2.16 O ATOM 0 H ASP A 17 9.049 -3.302 -6.220 1.00 0.63 H new ATOM 0 HA ASP A 17 10.940 -4.249 -4.308 1.00 0.75 H new ATOM 0 HB2 ASP A 17 12.091 -5.572 -6.362 1.00 1.27 H new ATOM 0 HB3 ASP A 17 11.063 -6.370 -5.188 1.00 1.27 H new ATOM 203 N HIS A 18 11.767 -2.082 -5.320 1.00 1.27 N ATOM 204 CA HIS A 18 12.528 -0.956 -5.849 1.00 1.85 C ATOM 205 C HIS A 18 12.609 0.158 -4.816 1.00 1.32 C ATOM 206 O HIS A 18 12.359 1.323 -5.124 1.00 2.00 O ATOM 207 CB HIS A 18 11.871 -0.436 -7.123 1.00 2.83 C ATOM 208 CG HIS A 18 12.863 -0.027 -8.168 1.00 3.48 C ATOM 209 ND1 HIS A 18 12.805 -0.457 -9.469 1.00 4.01 N ATOM 210 CD2 HIS A 18 13.952 0.783 -8.115 1.00 4.16 C ATOM 211 CE1 HIS A 18 13.789 0.051 -10.175 1.00 4.73 C ATOM 212 NE2 HIS A 18 14.514 0.817 -9.378 1.00 4.84 N ATOM 0 H HIS A 18 11.457 -1.964 -4.355 1.00 1.27 H new ATOM 0 HA HIS A 18 13.538 -1.294 -6.081 1.00 1.85 H new ATOM 0 HB2 HIS A 18 11.220 -1.209 -7.531 1.00 2.83 H new ATOM 0 HB3 HIS A 18 11.238 0.417 -6.877 1.00 2.83 H new ATOM 0 HD2 HIS A 18 14.314 1.307 -7.243 1.00 4.16 H new ATOM 0 HE1 HIS A 18 13.974 -0.126 -11.224 1.00 4.73 H new ATOM 0 HE2 HIS A 18 15.345 1.343 -9.648 1.00 4.84 H new ATOM 220 N LYS A 19 12.955 -0.208 -3.586 1.00 0.82 N ATOM 221 CA LYS A 19 13.064 0.761 -2.504 1.00 0.84 C ATOM 222 C LYS A 19 11.751 1.516 -2.333 1.00 0.77 C ATOM 223 O LYS A 19 11.732 2.635 -1.821 1.00 1.13 O ATOM 224 CB LYS A 19 14.192 1.746 -2.796 1.00 1.47 C ATOM 225 CG LYS A 19 15.563 1.095 -2.636 1.00 1.97 C ATOM 226 CD LYS A 19 16.207 0.800 -3.988 1.00 2.72 C ATOM 227 CE LYS A 19 17.414 1.697 -4.243 1.00 3.37 C ATOM 228 NZ LYS A 19 18.687 0.929 -4.158 1.00 4.03 N ATOM 0 H LYS A 19 13.164 -1.169 -3.315 1.00 0.82 H new ATOM 0 HA LYS A 19 13.285 0.226 -1.580 1.00 0.84 H new ATOM 0 HB2 LYS A 19 14.087 2.129 -3.811 1.00 1.47 H new ATOM 0 HB3 LYS A 19 14.113 2.600 -2.123 1.00 1.47 H new ATOM 0 HG2 LYS A 19 16.213 1.752 -2.058 1.00 1.97 H new ATOM 0 HG3 LYS A 19 15.463 0.169 -2.070 1.00 1.97 H new ATOM 0 HD2 LYS A 19 16.515 -0.245 -4.024 1.00 2.72 H new ATOM 0 HD3 LYS A 19 15.473 0.943 -4.781 1.00 2.72 H new ATOM 0 HE2 LYS A 19 17.328 2.154 -5.229 1.00 3.37 H new ATOM 0 HE3 LYS A 19 17.427 2.508 -3.515 1.00 3.37 H new ATOM 0 HZ1 LYS A 19 19.489 1.566 -4.336 1.00 4.03 H new ATOM 0 HZ2 LYS A 19 18.779 0.513 -3.209 1.00 4.03 H new ATOM 0 HZ3 LYS A 19 18.683 0.170 -4.869 1.00 4.03 H new ATOM 242 N PHE A 20 10.653 0.899 -2.766 1.00 0.63 N ATOM 243 CA PHE A 20 9.335 1.517 -2.663 1.00 0.61 C ATOM 244 C PHE A 20 8.984 1.799 -1.208 1.00 0.62 C ATOM 245 O PHE A 20 8.631 2.923 -0.852 1.00 0.95 O ATOM 246 CB PHE A 20 8.282 0.598 -3.275 1.00 0.62 C ATOM 247 CG PHE A 20 7.881 1.000 -4.673 1.00 0.75 C ATOM 248 CD1 PHE A 20 8.848 1.180 -5.648 1.00 1.08 C ATOM 249 CD2 PHE A 20 6.546 1.194 -4.984 1.00 0.96 C ATOM 250 CE1 PHE A 20 8.481 1.550 -6.930 1.00 1.26 C ATOM 251 CE2 PHE A 20 6.180 1.565 -6.267 1.00 1.17 C ATOM 252 CZ PHE A 20 7.143 1.734 -7.241 1.00 1.19 C ATOM 0 H PHE A 20 10.651 -0.028 -3.191 1.00 0.63 H new ATOM 0 HA PHE A 20 9.355 2.462 -3.206 1.00 0.61 H new ATOM 0 HB2 PHE A 20 8.666 -0.422 -3.293 1.00 0.62 H new ATOM 0 HB3 PHE A 20 7.398 0.594 -2.637 1.00 0.62 H new ATOM 0 HD1 PHE A 20 9.890 1.031 -5.407 1.00 1.08 H new ATOM 0 HD2 PHE A 20 5.790 1.056 -4.226 1.00 0.96 H new ATOM 0 HE1 PHE A 20 9.237 1.695 -7.688 1.00 1.26 H new ATOM 0 HE2 PHE A 20 5.139 1.722 -6.506 1.00 1.17 H new ATOM 0 HZ PHE A 20 6.854 2.009 -8.245 1.00 1.19 H new ATOM 262 N HIS A 21 9.080 0.771 -0.370 1.00 0.53 N ATOM 263 CA HIS A 21 8.770 0.901 1.050 1.00 0.57 C ATOM 264 C HIS A 21 9.473 2.113 1.646 1.00 0.69 C ATOM 265 O HIS A 21 8.828 3.081 2.050 1.00 1.03 O ATOM 266 CB HIS A 21 9.204 -0.356 1.796 1.00 0.54 C ATOM 267 CG HIS A 21 8.425 -1.572 1.398 1.00 0.47 C ATOM 268 ND1 HIS A 21 8.209 -2.633 2.237 1.00 0.48 N ATOM 269 CD2 HIS A 21 7.806 -1.910 0.239 1.00 0.44 C ATOM 270 CE1 HIS A 21 7.505 -3.567 1.643 1.00 0.45 C ATOM 271 NE2 HIS A 21 7.238 -3.158 0.413 1.00 0.42 N ATOM 0 H HIS A 21 9.371 -0.165 -0.651 1.00 0.53 H new ATOM 0 HA HIS A 21 7.693 1.033 1.154 1.00 0.57 H new ATOM 0 HB2 HIS A 21 10.263 -0.534 1.611 1.00 0.54 H new ATOM 0 HB3 HIS A 21 9.090 -0.193 2.868 1.00 0.54 H new ATOM 0 HD1 HIS A 21 8.550 -2.689 3.197 1.00 0.48 H new ATOM 0 HD2 HIS A 21 7.765 -1.311 -0.659 1.00 0.44 H new ATOM 0 HE1 HIS A 21 7.197 -4.505 2.081 1.00 0.45 H new ATOM 279 N ARG A 22 10.799 2.053 1.702 1.00 0.68 N ATOM 280 CA ARG A 22 11.591 3.145 2.252 1.00 0.80 C ATOM 281 C ARG A 22 11.194 4.467 1.607 1.00 0.81 C ATOM 282 O ARG A 22 11.321 5.528 2.218 1.00 0.92 O ATOM 283 CB ARG A 22 13.077 2.882 2.028 1.00 0.93 C ATOM 284 CG ARG A 22 13.935 4.039 2.532 1.00 1.64 C ATOM 285 CD ARG A 22 14.526 4.845 1.380 1.00 2.14 C ATOM 286 NE ARG A 22 15.873 5.293 1.714 1.00 2.73 N ATOM 287 CZ ARG A 22 16.769 5.574 0.774 1.00 3.33 C ATOM 288 NH1 ARG A 22 16.373 6.014 -0.413 1.00 3.72 N ATOM 289 NH2 ARG A 22 18.062 5.413 1.018 1.00 3.95 N ATOM 0 H ARG A 22 11.348 1.259 1.373 1.00 0.68 H new ATOM 0 HA ARG A 22 11.399 3.206 3.323 1.00 0.80 H new ATOM 0 HB2 ARG A 22 13.366 1.964 2.540 1.00 0.93 H new ATOM 0 HB3 ARG A 22 13.263 2.726 0.965 1.00 0.93 H new ATOM 0 HG2 ARG A 22 13.331 4.693 3.162 1.00 1.64 H new ATOM 0 HG3 ARG A 22 14.740 3.651 3.155 1.00 1.64 H new ATOM 0 HD2 ARG A 22 14.552 4.236 0.477 1.00 2.14 H new ATOM 0 HD3 ARG A 22 13.892 5.705 1.166 1.00 2.14 H new ATOM 0 HE ARG A 22 16.134 5.393 2.695 1.00 2.73 H new ATOM 0 HH11 ARG A 22 15.379 6.137 -0.606 1.00 3.72 H new ATOM 0 HH12 ARG A 22 17.063 6.229 -1.133 1.00 3.72 H new ATOM 0 HH21 ARG A 22 18.371 5.073 1.929 1.00 3.95 H new ATOM 0 HH22 ARG A 22 18.748 5.629 0.295 1.00 3.95 H new ATOM 303 N HIS A 23 10.713 4.396 0.371 1.00 0.90 N ATOM 304 CA HIS A 23 10.294 5.586 -0.359 1.00 0.98 C ATOM 305 C HIS A 23 8.911 6.028 0.098 1.00 0.96 C ATOM 306 O HIS A 23 8.587 7.216 0.070 1.00 1.12 O ATOM 307 CB HIS A 23 10.277 5.302 -1.858 1.00 1.02 C ATOM 308 CG HIS A 23 11.466 5.866 -2.572 1.00 1.30 C ATOM 309 ND1 HIS A 23 12.040 7.066 -2.243 1.00 1.83 N ATOM 310 CD2 HIS A 23 12.205 5.396 -3.609 1.00 1.56 C ATOM 311 CE1 HIS A 23 13.065 7.326 -3.020 1.00 2.07 C ATOM 312 NE2 HIS A 23 13.197 6.322 -3.872 1.00 1.86 N ATOM 0 H HIS A 23 10.603 3.524 -0.147 1.00 0.90 H new ATOM 0 HA HIS A 23 11.005 6.387 -0.155 1.00 0.98 H new ATOM 0 HB2 HIS A 23 10.241 4.224 -2.018 1.00 1.02 H new ATOM 0 HB3 HIS A 23 9.368 5.719 -2.291 1.00 1.02 H new ATOM 0 HD2 HIS A 23 12.046 4.466 -4.134 1.00 1.56 H new ATOM 0 HE1 HIS A 23 13.691 8.205 -2.973 1.00 2.07 H new ATOM 0 HE2 HIS A 23 13.909 6.245 -4.598 1.00 1.86 H new ATOM 320 N LEU A 24 8.098 5.066 0.519 1.00 0.86 N ATOM 321 CA LEU A 24 6.746 5.352 0.983 1.00 0.87 C ATOM 322 C LEU A 24 6.745 5.643 2.479 1.00 0.97 C ATOM 323 O LEU A 24 6.216 6.664 2.921 1.00 1.16 O ATOM 324 CB LEU A 24 5.833 4.168 0.685 1.00 0.73 C ATOM 325 CG LEU A 24 5.721 3.908 -0.814 1.00 0.76 C ATOM 326 CD1 LEU A 24 5.678 2.410 -1.099 1.00 0.72 C ATOM 327 CD2 LEU A 24 4.491 4.603 -1.392 1.00 1.25 C ATOM 0 H LEU A 24 8.353 4.079 0.548 1.00 0.86 H new ATOM 0 HA LEU A 24 6.377 6.232 0.456 1.00 0.87 H new ATOM 0 HB2 LEU A 24 6.218 3.277 1.182 1.00 0.73 H new ATOM 0 HB3 LEU A 24 4.842 4.359 1.097 1.00 0.73 H new ATOM 0 HG LEU A 24 6.605 4.322 -1.299 1.00 0.76 H new ATOM 0 HD11 LEU A 24 5.598 2.246 -2.174 1.00 0.72 H new ATOM 0 HD12 LEU A 24 6.590 1.943 -0.728 1.00 0.72 H new ATOM 0 HD13 LEU A 24 4.815 1.969 -0.600 1.00 0.72 H new ATOM 0 HD21 LEU A 24 4.430 4.405 -2.462 1.00 1.25 H new ATOM 0 HD22 LEU A 24 3.595 4.224 -0.901 1.00 1.25 H new ATOM 0 HD23 LEU A 24 4.569 5.677 -1.226 1.00 1.25 H new ATOM 339 N ILE A 25 7.336 4.741 3.256 1.00 0.92 N ATOM 340 CA ILE A 25 7.399 4.903 4.703 1.00 1.10 C ATOM 341 C ILE A 25 8.488 5.897 5.093 1.00 1.41 C ATOM 342 O ILE A 25 8.442 6.489 6.171 1.00 1.91 O ATOM 343 CB ILE A 25 7.658 3.554 5.371 1.00 0.94 C ATOM 344 CG1 ILE A 25 9.034 3.009 4.998 1.00 0.90 C ATOM 345 CG2 ILE A 25 6.575 2.548 5.005 1.00 1.06 C ATOM 346 CD1 ILE A 25 9.655 2.245 6.162 1.00 0.91 C ATOM 0 H ILE A 25 7.778 3.890 2.907 1.00 0.92 H new ATOM 0 HA ILE A 25 6.441 5.294 5.045 1.00 1.10 H new ATOM 0 HB ILE A 25 7.634 3.711 6.449 1.00 0.94 H new ATOM 0 HG12 ILE A 25 8.946 2.352 4.133 1.00 0.90 H new ATOM 0 HG13 ILE A 25 9.688 3.831 4.708 1.00 0.90 H new ATOM 0 HG21 ILE A 25 6.783 1.596 5.493 1.00 1.06 H new ATOM 0 HG22 ILE A 25 5.605 2.921 5.335 1.00 1.06 H new ATOM 0 HG23 ILE A 25 6.561 2.406 3.924 1.00 1.06 H new ATOM 0 HD11 ILE A 25 10.635 1.868 5.868 1.00 0.91 H new ATOM 0 HD12 ILE A 25 9.764 2.911 7.018 1.00 0.91 H new ATOM 0 HD13 ILE A 25 9.011 1.409 6.433 1.00 0.91 H new ATOM 358 N GLY A 26 9.467 6.078 4.210 1.00 1.49 N ATOM 359 CA GLY A 26 10.568 7.001 4.466 1.00 1.87 C ATOM 360 C GLY A 26 11.592 6.379 5.405 1.00 1.82 C ATOM 361 O GLY A 26 12.607 5.840 4.965 1.00 2.29 O ATOM 0 H GLY A 26 9.520 5.598 3.312 1.00 1.49 H new ATOM 0 HA2 GLY A 26 11.048 7.270 3.525 1.00 1.87 H new ATOM 0 HA3 GLY A 26 10.181 7.922 4.902 1.00 1.87 H new ATOM 365 N LYS A 27 11.316 6.455 6.702 1.00 1.86 N ATOM 366 CA LYS A 27 12.207 5.898 7.712 1.00 1.91 C ATOM 367 C LYS A 27 11.398 5.277 8.842 1.00 1.62 C ATOM 368 O LYS A 27 11.664 4.151 9.265 1.00 2.38 O ATOM 369 CB LYS A 27 13.118 6.989 8.265 1.00 2.21 C ATOM 370 CG LYS A 27 14.029 6.455 9.366 1.00 2.65 C ATOM 371 CD LYS A 27 15.372 7.177 9.382 1.00 3.30 C ATOM 372 CE LYS A 27 15.203 8.675 9.613 1.00 3.80 C ATOM 373 NZ LYS A 27 16.522 9.357 9.734 1.00 4.51 N ATOM 0 H LYS A 27 10.479 6.899 7.079 1.00 1.86 H new ATOM 0 HA LYS A 27 12.819 5.124 7.250 1.00 1.91 H new ATOM 0 HB2 LYS A 27 13.724 7.401 7.458 1.00 2.21 H new ATOM 0 HB3 LYS A 27 12.512 7.806 8.657 1.00 2.21 H new ATOM 0 HG2 LYS A 27 13.540 6.573 10.333 1.00 2.65 H new ATOM 0 HG3 LYS A 27 14.191 5.387 9.219 1.00 2.65 H new ATOM 0 HD2 LYS A 27 16.002 6.757 10.166 1.00 3.30 H new ATOM 0 HD3 LYS A 27 15.886 7.010 8.436 1.00 3.30 H new ATOM 0 HE2 LYS A 27 14.640 9.111 8.788 1.00 3.80 H new ATOM 0 HE3 LYS A 27 14.621 8.842 10.519 1.00 3.80 H new ATOM 0 HZ1 LYS A 27 16.374 10.374 9.891 1.00 4.51 H new ATOM 0 HZ2 LYS A 27 17.048 8.956 10.537 1.00 4.51 H new ATOM 0 HZ3 LYS A 27 17.067 9.217 8.859 1.00 4.51 H new ATOM 387 N SER A 28 10.404 6.016 9.323 1.00 1.28 N ATOM 388 CA SER A 28 9.546 5.540 10.400 1.00 1.60 C ATOM 389 C SER A 28 8.093 5.468 9.940 1.00 1.60 C ATOM 390 O SER A 28 7.174 5.477 10.759 1.00 2.28 O ATOM 391 CB SER A 28 9.662 6.468 11.605 1.00 1.99 C ATOM 392 OG SER A 28 10.892 6.247 12.282 1.00 2.57 O ATOM 0 H SER A 28 10.173 6.949 8.982 1.00 1.28 H new ATOM 0 HA SER A 28 9.870 4.538 10.683 1.00 1.60 H new ATOM 0 HB2 SER A 28 9.600 7.507 11.280 1.00 1.99 H new ATOM 0 HB3 SER A 28 8.828 6.297 12.286 1.00 1.99 H new ATOM 0 HG SER A 28 10.955 6.850 13.052 1.00 2.57 H new ATOM 398 N GLY A 29 7.892 5.392 8.627 1.00 1.21 N ATOM 399 CA GLY A 29 6.550 5.314 8.060 1.00 1.23 C ATOM 400 C GLY A 29 5.729 6.547 8.408 1.00 1.36 C ATOM 401 O GLY A 29 5.725 7.004 9.551 1.00 2.05 O ATOM 0 H GLY A 29 8.642 5.383 7.936 1.00 1.21 H new ATOM 0 HA2 GLY A 29 6.616 5.213 6.977 1.00 1.23 H new ATOM 0 HA3 GLY A 29 6.047 4.422 8.433 1.00 1.23 H new ATOM 405 N ALA A 30 5.031 7.081 7.410 1.00 1.00 N ATOM 406 CA ALA A 30 4.199 8.262 7.595 1.00 1.10 C ATOM 407 C ALA A 30 3.236 8.423 6.425 1.00 1.06 C ATOM 408 O ALA A 30 2.061 8.737 6.615 1.00 1.43 O ATOM 409 CB ALA A 30 5.075 9.506 7.719 1.00 1.27 C ATOM 0 H ALA A 30 5.027 6.710 6.460 1.00 1.00 H new ATOM 0 HA ALA A 30 3.621 8.139 8.511 1.00 1.10 H new ATOM 0 HB1 ALA A 30 4.443 10.384 7.857 1.00 1.27 H new ATOM 0 HB2 ALA A 30 5.740 9.399 8.576 1.00 1.27 H new ATOM 0 HB3 ALA A 30 5.668 9.625 6.812 1.00 1.27 H new ATOM 415 N ASN A 31 3.742 8.207 5.214 1.00 0.73 N ATOM 416 CA ASN A 31 2.929 8.329 4.010 1.00 0.69 C ATOM 417 C ASN A 31 1.707 7.420 4.088 1.00 0.60 C ATOM 418 O ASN A 31 0.606 7.814 3.702 1.00 0.58 O ATOM 419 CB ASN A 31 3.761 7.972 2.781 1.00 0.71 C ATOM 420 CG ASN A 31 3.078 8.477 1.517 1.00 1.24 C ATOM 421 OD1 ASN A 31 2.152 9.286 1.580 1.00 1.91 O ATOM 422 ND2 ASN A 31 3.534 7.997 0.366 1.00 1.42 N ATOM 0 H ASN A 31 4.713 7.946 5.041 1.00 0.73 H new ATOM 0 HA ASN A 31 2.588 9.361 3.929 1.00 0.69 H new ATOM 0 HB2 ASN A 31 4.755 8.411 2.866 1.00 0.71 H new ATOM 0 HB3 ASN A 31 3.894 6.892 2.724 1.00 0.71 H new ATOM 0 HD21 ASN A 31 3.114 8.297 -0.514 1.00 1.42 H new ATOM 0 HD22 ASN A 31 4.304 7.328 0.362 1.00 1.42 H new ATOM 429 N ILE A 32 1.905 6.204 4.588 1.00 0.58 N ATOM 430 CA ILE A 32 0.815 5.241 4.717 1.00 0.56 C ATOM 431 C ILE A 32 -0.384 5.881 5.404 1.00 0.52 C ATOM 432 O ILE A 32 -1.528 5.500 5.159 1.00 0.51 O ATOM 433 CB ILE A 32 1.285 4.025 5.510 1.00 0.63 C ATOM 434 CG1 ILE A 32 1.818 4.450 6.876 1.00 0.70 C ATOM 435 CG2 ILE A 32 2.347 3.248 4.737 1.00 0.69 C ATOM 436 CD1 ILE A 32 2.364 3.260 7.658 1.00 1.07 C ATOM 0 H ILE A 32 2.810 5.862 4.911 1.00 0.58 H new ATOM 0 HA ILE A 32 0.513 4.921 3.720 1.00 0.56 H new ATOM 0 HB ILE A 32 0.429 3.368 5.663 1.00 0.63 H new ATOM 0 HG12 ILE A 32 2.605 5.193 6.746 1.00 0.70 H new ATOM 0 HG13 ILE A 32 1.021 4.927 7.446 1.00 0.70 H new ATOM 0 HG21 ILE A 32 2.666 2.386 5.323 1.00 0.69 H new ATOM 0 HG22 ILE A 32 1.931 2.908 3.789 1.00 0.69 H new ATOM 0 HG23 ILE A 32 3.204 3.894 4.546 1.00 0.69 H new ATOM 0 HD11 ILE A 32 2.735 3.599 8.625 1.00 1.07 H new ATOM 0 HD12 ILE A 32 1.570 2.529 7.810 1.00 1.07 H new ATOM 0 HD13 ILE A 32 3.178 2.800 7.098 1.00 1.07 H new ATOM 448 N ASN A 33 -0.117 6.864 6.258 1.00 0.56 N ATOM 449 CA ASN A 33 -1.179 7.562 6.970 1.00 0.59 C ATOM 450 C ASN A 33 -1.896 8.521 6.032 1.00 0.54 C ATOM 451 O ASN A 33 -3.115 8.678 6.097 1.00 0.55 O ATOM 452 CB ASN A 33 -0.601 8.328 8.155 1.00 0.71 C ATOM 453 CG ASN A 33 -1.637 8.437 9.266 1.00 0.97 C ATOM 454 OD1 ASN A 33 -1.937 9.531 9.745 1.00 1.51 O ATOM 455 ND2 ASN A 33 -2.186 7.300 9.675 1.00 1.62 N ATOM 0 H ASN A 33 0.824 7.194 6.473 1.00 0.56 H new ATOM 0 HA ASN A 33 -1.895 6.827 7.339 1.00 0.59 H new ATOM 0 HB2 ASN A 33 0.289 7.820 8.526 1.00 0.71 H new ATOM 0 HB3 ASN A 33 -0.291 9.324 7.838 1.00 0.71 H new ATOM 0 HD21 ASN A 33 -2.887 7.310 10.415 1.00 1.62 H new ATOM 0 HD22 ASN A 33 -1.906 6.416 9.249 1.00 1.62 H new ATOM 462 N ARG A 34 -1.130 9.160 5.152 1.00 0.55 N ATOM 463 CA ARG A 34 -1.689 10.101 4.190 1.00 0.56 C ATOM 464 C ARG A 34 -2.683 9.396 3.276 1.00 0.48 C ATOM 465 O ARG A 34 -3.790 9.884 3.052 1.00 0.48 O ATOM 466 CB ARG A 34 -0.572 10.726 3.360 1.00 0.65 C ATOM 467 CG ARG A 34 -0.152 12.084 3.917 1.00 0.89 C ATOM 468 CD ARG A 34 1.340 12.339 3.716 1.00 1.22 C ATOM 469 NE ARG A 34 1.785 13.437 4.566 1.00 1.69 N ATOM 470 CZ ARG A 34 3.060 13.586 4.906 1.00 2.27 C ATOM 471 NH1 ARG A 34 4.011 13.000 4.193 1.00 2.78 N ATOM 472 NH2 ARG A 34 3.387 14.324 5.959 1.00 2.90 N ATOM 0 H ARG A 34 -0.119 9.042 5.086 1.00 0.55 H new ATOM 0 HA ARG A 34 -2.211 10.888 4.735 1.00 0.56 H new ATOM 0 HB2 ARG A 34 0.288 10.057 3.344 1.00 0.65 H new ATOM 0 HB3 ARG A 34 -0.905 10.842 2.329 1.00 0.65 H new ATOM 0 HG2 ARG A 34 -0.725 12.871 3.427 1.00 0.89 H new ATOM 0 HG3 ARG A 34 -0.389 12.131 4.980 1.00 0.89 H new ATOM 0 HD2 ARG A 34 1.905 11.437 3.950 1.00 1.22 H new ATOM 0 HD3 ARG A 34 1.538 12.576 2.671 1.00 1.22 H new ATOM 0 HE ARG A 34 1.098 14.109 4.909 1.00 1.69 H new ATOM 0 HH11 ARG A 34 3.764 12.433 3.382 1.00 2.78 H new ATOM 0 HH12 ARG A 34 4.990 13.116 4.456 1.00 2.78 H new ATOM 0 HH21 ARG A 34 2.658 14.778 6.509 1.00 2.90 H new ATOM 0 HH22 ARG A 34 4.367 14.437 6.218 1.00 2.90 H new ATOM 486 N ILE A 35 -2.280 8.239 2.759 1.00 0.45 N ATOM 487 CA ILE A 35 -3.135 7.455 1.874 1.00 0.40 C ATOM 488 C ILE A 35 -4.283 6.843 2.665 1.00 0.34 C ATOM 489 O ILE A 35 -5.452 7.117 2.394 1.00 0.34 O ATOM 490 CB ILE A 35 -2.313 6.358 1.196 1.00 0.41 C ATOM 491 CG1 ILE A 35 -1.227 6.971 0.315 1.00 0.54 C ATOM 492 CG2 ILE A 35 -3.205 5.431 0.373 1.00 0.40 C ATOM 493 CD1 ILE A 35 0.035 7.288 1.114 1.00 1.29 C ATOM 0 H ILE A 35 -1.366 7.823 2.938 1.00 0.45 H new ATOM 0 HA ILE A 35 -3.550 8.109 1.107 1.00 0.40 H new ATOM 0 HB ILE A 35 -1.837 5.764 1.976 1.00 0.41 H new ATOM 0 HG12 ILE A 35 -0.982 6.282 -0.494 1.00 0.54 H new ATOM 0 HG13 ILE A 35 -1.605 7.883 -0.147 1.00 0.54 H new ATOM 0 HG21 ILE A 35 -2.594 4.661 -0.098 1.00 0.40 H new ATOM 0 HG22 ILE A 35 -3.942 4.961 1.025 1.00 0.40 H new ATOM 0 HG23 ILE A 35 -3.717 6.008 -0.397 1.00 0.40 H new ATOM 0 HD11 ILE A 35 0.785 7.723 0.453 1.00 1.29 H new ATOM 0 HD12 ILE A 35 -0.205 7.997 1.907 1.00 1.29 H new ATOM 0 HD13 ILE A 35 0.427 6.371 1.554 1.00 1.29 H new ATOM 505 N LYS A 36 -3.941 6.012 3.650 1.00 0.35 N ATOM 506 CA LYS A 36 -4.935 5.351 4.500 1.00 0.36 C ATOM 507 C LYS A 36 -6.078 6.297 4.858 1.00 0.39 C ATOM 508 O LYS A 36 -7.217 5.868 5.042 1.00 0.51 O ATOM 509 CB LYS A 36 -4.272 4.852 5.781 1.00 0.44 C ATOM 510 CG LYS A 36 -3.602 3.497 5.578 1.00 1.09 C ATOM 511 CD LYS A 36 -3.319 2.807 6.910 1.00 1.41 C ATOM 512 CE LYS A 36 -1.915 3.119 7.418 1.00 2.17 C ATOM 513 NZ LYS A 36 -1.150 1.870 7.694 1.00 2.76 N ATOM 0 H LYS A 36 -2.975 5.779 3.881 1.00 0.35 H new ATOM 0 HA LYS A 36 -5.346 4.510 3.942 1.00 0.36 H new ATOM 0 HB2 LYS A 36 -3.531 5.578 6.114 1.00 0.44 H new ATOM 0 HB3 LYS A 36 -5.019 4.774 6.571 1.00 0.44 H new ATOM 0 HG2 LYS A 36 -4.243 2.861 4.967 1.00 1.09 H new ATOM 0 HG3 LYS A 36 -2.669 3.630 5.030 1.00 1.09 H new ATOM 0 HD2 LYS A 36 -4.053 3.127 7.649 1.00 1.41 H new ATOM 0 HD3 LYS A 36 -3.433 1.729 6.793 1.00 1.41 H new ATOM 0 HE2 LYS A 36 -1.383 3.718 6.679 1.00 2.17 H new ATOM 0 HE3 LYS A 36 -1.979 3.717 8.327 1.00 2.17 H new ATOM 0 HZ1 LYS A 36 -0.424 2.060 8.414 1.00 2.76 H new ATOM 0 HZ2 LYS A 36 -1.799 1.135 8.042 1.00 2.76 H new ATOM 0 HZ3 LYS A 36 -0.693 1.542 6.819 1.00 2.76 H new ATOM 527 N ASP A 37 -5.765 7.585 4.957 1.00 0.40 N ATOM 528 CA ASP A 37 -6.764 8.592 5.295 1.00 0.45 C ATOM 529 C ASP A 37 -7.324 9.240 4.035 1.00 0.44 C ATOM 530 O ASP A 37 -8.511 9.557 3.965 1.00 0.60 O ATOM 531 CB ASP A 37 -6.147 9.657 6.196 1.00 0.51 C ATOM 532 CG ASP A 37 -7.229 10.359 7.005 1.00 0.82 C ATOM 533 OD1 ASP A 37 -7.926 11.228 6.439 1.00 1.37 O ATOM 534 OD2 ASP A 37 -7.378 10.041 8.204 1.00 1.56 O ATOM 0 H ASP A 37 -4.827 7.956 4.808 1.00 0.40 H new ATOM 0 HA ASP A 37 -7.581 8.102 5.825 1.00 0.45 H new ATOM 0 HB2 ASP A 37 -5.422 9.198 6.868 1.00 0.51 H new ATOM 0 HB3 ASP A 37 -5.606 10.385 5.592 1.00 0.51 H new ATOM 539 N GLN A 38 -6.461 9.437 3.044 1.00 0.41 N ATOM 540 CA GLN A 38 -6.870 10.051 1.786 1.00 0.46 C ATOM 541 C GLN A 38 -7.832 9.146 1.031 1.00 0.42 C ATOM 542 O GLN A 38 -8.777 9.619 0.398 1.00 0.68 O ATOM 543 CB GLN A 38 -5.646 10.337 0.921 1.00 0.54 C ATOM 544 CG GLN A 38 -6.033 11.005 -0.396 1.00 0.65 C ATOM 545 CD GLN A 38 -5.996 12.520 -0.255 1.00 1.05 C ATOM 546 OE1 GLN A 38 -4.984 13.093 0.150 1.00 1.65 O ATOM 547 NE2 GLN A 38 -7.101 13.175 -0.592 1.00 1.66 N ATOM 0 H GLN A 38 -5.475 9.181 3.087 1.00 0.41 H new ATOM 0 HA GLN A 38 -7.379 10.988 2.013 1.00 0.46 H new ATOM 0 HB2 GLN A 38 -4.956 10.980 1.467 1.00 0.54 H new ATOM 0 HB3 GLN A 38 -5.119 9.405 0.716 1.00 0.54 H new ATOM 0 HG2 GLN A 38 -5.350 10.690 -1.185 1.00 0.65 H new ATOM 0 HG3 GLN A 38 -7.032 10.686 -0.693 1.00 0.65 H new ATOM 0 HE21 GLN A 38 -7.918 12.661 -0.923 1.00 1.66 H new ATOM 0 HE22 GLN A 38 -7.133 14.192 -0.520 1.00 1.66 H new ATOM 556 N TYR A 39 -7.589 7.841 1.096 1.00 0.34 N ATOM 557 CA TYR A 39 -8.435 6.872 0.411 1.00 0.34 C ATOM 558 C TYR A 39 -9.163 5.965 1.401 1.00 0.30 C ATOM 559 O TYR A 39 -9.789 4.985 0.999 1.00 0.32 O ATOM 560 CB TYR A 39 -7.595 6.024 -0.540 1.00 0.39 C ATOM 561 CG TYR A 39 -6.717 6.846 -1.450 1.00 0.46 C ATOM 562 CD1 TYR A 39 -5.641 7.544 -0.932 1.00 0.53 C ATOM 563 CD2 TYR A 39 -6.986 6.908 -2.806 1.00 0.64 C ATOM 564 CE1 TYR A 39 -4.836 8.300 -1.767 1.00 0.62 C ATOM 565 CE2 TYR A 39 -6.181 7.664 -3.640 1.00 0.73 C ATOM 566 CZ TYR A 39 -5.105 8.347 -3.121 1.00 0.66 C ATOM 567 OH TYR A 39 -4.311 9.108 -3.947 1.00 0.77 O ATOM 0 H TYR A 39 -6.813 7.431 1.616 1.00 0.34 H new ATOM 0 HA TYR A 39 -9.183 7.426 -0.155 1.00 0.34 H new ATOM 0 HB2 TYR A 39 -6.970 5.347 0.043 1.00 0.39 H new ATOM 0 HB3 TYR A 39 -8.257 5.405 -1.146 1.00 0.39 H new ATOM 0 HD1 TYR A 39 -5.428 7.499 0.126 1.00 0.53 H new ATOM 0 HD2 TYR A 39 -7.826 6.365 -3.214 1.00 0.64 H new ATOM 0 HE1 TYR A 39 -4.001 8.851 -1.361 1.00 0.62 H new ATOM 0 HE2 TYR A 39 -6.397 7.718 -4.697 1.00 0.73 H new ATOM 0 HH TYR A 39 -4.632 9.033 -4.870 1.00 0.77 H new ATOM 577 N LYS A 40 -9.081 6.282 2.696 1.00 0.28 N ATOM 578 CA LYS A 40 -9.739 5.473 3.721 1.00 0.31 C ATOM 579 C LYS A 40 -9.416 3.998 3.512 1.00 0.29 C ATOM 580 O LYS A 40 -10.311 3.155 3.457 1.00 0.39 O ATOM 581 CB LYS A 40 -11.250 5.683 3.662 1.00 0.38 C ATOM 582 CG LYS A 40 -11.628 7.134 3.947 1.00 0.86 C ATOM 583 CD LYS A 40 -13.142 7.321 3.984 1.00 1.29 C ATOM 584 CE LYS A 40 -13.667 7.914 2.680 1.00 1.88 C ATOM 585 NZ LYS A 40 -14.595 9.051 2.936 1.00 2.56 N ATOM 0 H LYS A 40 -8.569 7.087 3.056 1.00 0.28 H new ATOM 0 HA LYS A 40 -9.373 5.782 4.700 1.00 0.31 H new ATOM 0 HB2 LYS A 40 -11.619 5.397 2.677 1.00 0.38 H new ATOM 0 HB3 LYS A 40 -11.737 5.031 4.387 1.00 0.38 H new ATOM 0 HG2 LYS A 40 -11.199 7.442 4.900 1.00 0.86 H new ATOM 0 HG3 LYS A 40 -11.199 7.780 3.181 1.00 0.86 H new ATOM 0 HD2 LYS A 40 -13.623 6.360 4.167 1.00 1.29 H new ATOM 0 HD3 LYS A 40 -13.408 7.975 4.815 1.00 1.29 H new ATOM 0 HE2 LYS A 40 -12.830 8.255 2.071 1.00 1.88 H new ATOM 0 HE3 LYS A 40 -14.183 7.142 2.109 1.00 1.88 H new ATOM 0 HZ1 LYS A 40 -14.935 9.433 2.030 1.00 2.56 H new ATOM 0 HZ2 LYS A 40 -15.405 8.718 3.497 1.00 2.56 H new ATOM 0 HZ3 LYS A 40 -14.094 9.797 3.460 1.00 2.56 H new ATOM 599 N VAL A 41 -8.129 3.700 3.374 1.00 0.23 N ATOM 600 CA VAL A 41 -7.676 2.335 3.143 1.00 0.23 C ATOM 601 C VAL A 41 -6.662 1.912 4.199 1.00 0.27 C ATOM 602 O VAL A 41 -6.414 2.639 5.161 1.00 0.33 O ATOM 603 CB VAL A 41 -7.055 2.249 1.755 1.00 0.23 C ATOM 604 CG1 VAL A 41 -8.139 2.292 0.686 1.00 0.25 C ATOM 605 CG2 VAL A 41 -6.054 3.382 1.546 1.00 0.23 C ATOM 0 H VAL A 41 -7.379 4.389 3.418 1.00 0.23 H new ATOM 0 HA VAL A 41 -8.529 1.660 3.210 1.00 0.23 H new ATOM 0 HB VAL A 41 -6.524 1.301 1.672 1.00 0.23 H new ATOM 0 HG11 VAL A 41 -7.680 2.230 -0.301 1.00 0.25 H new ATOM 0 HG12 VAL A 41 -8.819 1.451 0.823 1.00 0.25 H new ATOM 0 HG13 VAL A 41 -8.695 3.226 0.769 1.00 0.25 H new ATOM 0 HG21 VAL A 41 -5.620 3.305 0.549 1.00 0.23 H new ATOM 0 HG22 VAL A 41 -6.563 4.341 1.647 1.00 0.23 H new ATOM 0 HG23 VAL A 41 -5.263 3.311 2.292 1.00 0.23 H new ATOM 615 N SER A 42 -6.078 0.728 4.017 1.00 0.29 N ATOM 616 CA SER A 42 -5.093 0.209 4.958 1.00 0.34 C ATOM 617 C SER A 42 -3.859 -0.296 4.220 1.00 0.30 C ATOM 618 O SER A 42 -3.757 -1.481 3.898 1.00 0.36 O ATOM 619 CB SER A 42 -5.702 -0.924 5.778 1.00 0.43 C ATOM 620 OG SER A 42 -5.077 -1.003 7.051 1.00 0.93 O ATOM 0 H SER A 42 -6.271 0.113 3.227 1.00 0.29 H new ATOM 0 HA SER A 42 -4.794 1.018 5.625 1.00 0.34 H new ATOM 0 HB2 SER A 42 -6.772 -0.759 5.901 1.00 0.43 H new ATOM 0 HB3 SER A 42 -5.584 -1.869 5.248 1.00 0.43 H new ATOM 0 HG SER A 42 -5.478 -1.733 7.568 1.00 0.93 H new ATOM 626 N VAL A 43 -2.919 0.609 3.957 1.00 0.33 N ATOM 627 CA VAL A 43 -1.687 0.255 3.261 1.00 0.34 C ATOM 628 C VAL A 43 -0.614 -0.149 4.261 1.00 0.35 C ATOM 629 O VAL A 43 -0.093 0.687 5.000 1.00 0.55 O ATOM 630 CB VAL A 43 -1.198 1.436 2.426 1.00 0.49 C ATOM 631 CG1 VAL A 43 -0.995 2.670 3.301 1.00 1.25 C ATOM 632 CG2 VAL A 43 0.089 1.077 1.687 1.00 0.54 C ATOM 0 H VAL A 43 -2.988 1.593 4.216 1.00 0.33 H new ATOM 0 HA VAL A 43 -1.890 -0.588 2.601 1.00 0.34 H new ATOM 0 HB VAL A 43 -1.962 1.669 1.685 1.00 0.49 H new ATOM 0 HG11 VAL A 43 -0.646 3.499 2.685 1.00 1.25 H new ATOM 0 HG12 VAL A 43 -1.939 2.941 3.773 1.00 1.25 H new ATOM 0 HG13 VAL A 43 -0.254 2.453 4.070 1.00 1.25 H new ATOM 0 HG21 VAL A 43 0.421 1.932 1.098 1.00 0.54 H new ATOM 0 HG22 VAL A 43 0.861 0.812 2.409 1.00 0.54 H new ATOM 0 HG23 VAL A 43 -0.095 0.230 1.026 1.00 0.54 H new ATOM 642 N ARG A 44 -0.291 -1.437 4.288 1.00 0.31 N ATOM 643 CA ARG A 44 0.717 -1.955 5.205 1.00 0.42 C ATOM 644 C ARG A 44 2.024 -2.228 4.474 1.00 0.40 C ATOM 645 O ARG A 44 2.057 -2.987 3.505 1.00 0.41 O ATOM 646 CB ARG A 44 0.216 -3.238 5.861 1.00 0.52 C ATOM 647 CG ARG A 44 -1.211 -3.084 6.380 1.00 0.78 C ATOM 648 CD ARG A 44 -2.108 -4.221 5.901 1.00 1.05 C ATOM 649 NE ARG A 44 -2.382 -5.147 6.993 1.00 1.31 N ATOM 650 CZ ARG A 44 -2.001 -6.420 6.942 1.00 1.74 C ATOM 651 NH1 ARG A 44 -2.450 -7.210 5.977 1.00 2.28 N ATOM 652 NH2 ARG A 44 -1.172 -6.902 7.857 1.00 2.27 N ATOM 0 H ARG A 44 -0.713 -2.142 3.684 1.00 0.31 H new ATOM 0 HA ARG A 44 0.899 -1.203 5.973 1.00 0.42 H new ATOM 0 HB2 ARG A 44 0.255 -4.055 5.141 1.00 0.52 H new ATOM 0 HB3 ARG A 44 0.876 -3.508 6.685 1.00 0.52 H new ATOM 0 HG2 ARG A 44 -1.202 -3.061 7.470 1.00 0.78 H new ATOM 0 HG3 ARG A 44 -1.620 -2.131 6.045 1.00 0.78 H new ATOM 0 HD2 ARG A 44 -3.044 -3.817 5.515 1.00 1.05 H new ATOM 0 HD3 ARG A 44 -1.627 -4.751 5.079 1.00 1.05 H new ATOM 0 HE ARG A 44 -2.879 -4.810 7.818 1.00 1.31 H new ATOM 0 HH11 ARG A 44 -3.089 -6.842 5.272 1.00 2.28 H new ATOM 0 HH12 ARG A 44 -2.157 -8.186 5.939 1.00 2.28 H new ATOM 0 HH21 ARG A 44 -0.826 -6.296 8.601 1.00 2.27 H new ATOM 0 HH22 ARG A 44 -0.880 -7.879 7.817 1.00 2.27 H new ATOM 666 N ILE A 45 3.100 -1.613 4.952 1.00 0.46 N ATOM 667 CA ILE A 45 4.419 -1.793 4.357 1.00 0.47 C ATOM 668 C ILE A 45 5.206 -2.835 5.160 1.00 0.53 C ATOM 669 O ILE A 45 5.687 -2.546 6.255 1.00 0.64 O ATOM 670 CB ILE A 45 5.155 -0.444 4.327 1.00 0.56 C ATOM 671 CG1 ILE A 45 4.580 0.445 3.225 1.00 0.59 C ATOM 672 CG2 ILE A 45 6.665 -0.616 4.132 1.00 0.60 C ATOM 673 CD1 ILE A 45 4.971 -0.054 1.834 1.00 0.56 C ATOM 0 H ILE A 45 3.084 -0.983 5.754 1.00 0.46 H new ATOM 0 HA ILE A 45 4.321 -2.154 3.333 1.00 0.47 H new ATOM 0 HB ILE A 45 5.003 0.033 5.295 1.00 0.56 H new ATOM 0 HG12 ILE A 45 3.494 0.473 3.310 1.00 0.59 H new ATOM 0 HG13 ILE A 45 4.936 1.466 3.359 1.00 0.59 H new ATOM 0 HG21 ILE A 45 7.144 0.363 4.117 1.00 0.60 H new ATOM 0 HG22 ILE A 45 7.073 -1.207 4.952 1.00 0.60 H new ATOM 0 HG23 ILE A 45 6.854 -1.127 3.188 1.00 0.60 H new ATOM 0 HD11 ILE A 45 4.543 0.604 1.078 1.00 0.56 H new ATOM 0 HD12 ILE A 45 6.057 -0.057 1.740 1.00 0.56 H new ATOM 0 HD13 ILE A 45 4.592 -1.066 1.691 1.00 0.56 H new ATOM 685 N PRO A 46 5.343 -4.063 4.625 1.00 0.48 N ATOM 686 CA PRO A 46 6.071 -5.140 5.308 1.00 0.58 C ATOM 687 C PRO A 46 7.586 -4.980 5.189 1.00 0.61 C ATOM 688 O PRO A 46 8.150 -5.127 4.105 1.00 0.56 O ATOM 689 CB PRO A 46 5.593 -6.402 4.596 1.00 0.57 C ATOM 690 CG PRO A 46 5.161 -5.958 3.237 1.00 0.47 C ATOM 691 CD PRO A 46 4.799 -4.497 3.328 1.00 0.41 C ATOM 0 HA PRO A 46 5.877 -5.152 6.381 1.00 0.58 H new ATOM 0 HB2 PRO A 46 6.391 -7.142 4.531 1.00 0.57 H new ATOM 0 HB3 PRO A 46 4.769 -6.868 5.136 1.00 0.57 H new ATOM 0 HG2 PRO A 46 5.961 -6.110 2.512 1.00 0.47 H new ATOM 0 HG3 PRO A 46 4.307 -6.544 2.896 1.00 0.47 H new ATOM 0 HD2 PRO A 46 5.233 -3.929 2.505 1.00 0.41 H new ATOM 0 HD3 PRO A 46 3.720 -4.352 3.282 1.00 0.41 H new ATOM 699 N PRO A 47 8.271 -4.677 6.309 1.00 0.74 N ATOM 700 CA PRO A 47 9.726 -4.502 6.314 1.00 0.81 C ATOM 701 C PRO A 47 10.458 -5.839 6.339 1.00 0.87 C ATOM 702 O PRO A 47 10.756 -6.373 7.407 1.00 1.53 O ATOM 703 CB PRO A 47 9.984 -3.708 7.590 1.00 0.98 C ATOM 704 CG PRO A 47 8.839 -4.020 8.499 1.00 1.03 C ATOM 705 CD PRO A 47 7.684 -4.483 7.645 1.00 0.85 C ATOM 0 HA PRO A 47 10.089 -4.000 5.417 1.00 0.81 H new ATOM 0 HB2 PRO A 47 10.933 -3.994 8.044 1.00 0.98 H new ATOM 0 HB3 PRO A 47 10.039 -2.639 7.382 1.00 0.98 H new ATOM 0 HG2 PRO A 47 9.119 -4.793 9.214 1.00 1.03 H new ATOM 0 HG3 PRO A 47 8.558 -3.139 9.076 1.00 1.03 H new ATOM 0 HD2 PRO A 47 7.253 -5.408 8.028 1.00 0.85 H new ATOM 0 HD3 PRO A 47 6.884 -3.743 7.624 1.00 0.85 H new ATOM 713 N ASP A 48 10.740 -6.380 5.158 1.00 1.32 N ATOM 714 CA ASP A 48 11.433 -7.659 5.049 1.00 1.46 C ATOM 715 C ASP A 48 12.622 -7.552 4.103 1.00 1.48 C ATOM 716 O ASP A 48 12.959 -6.466 3.632 1.00 2.18 O ATOM 717 CB ASP A 48 10.470 -8.732 4.550 1.00 2.16 C ATOM 718 CG ASP A 48 9.627 -8.193 3.402 1.00 2.56 C ATOM 719 OD1 ASP A 48 8.758 -7.333 3.654 1.00 3.01 O ATOM 720 OD2 ASP A 48 9.837 -8.634 2.252 1.00 3.03 O ATOM 0 H ASP A 48 10.499 -5.953 4.263 1.00 1.32 H new ATOM 0 HA ASP A 48 11.801 -7.935 6.037 1.00 1.46 H new ATOM 0 HB2 ASP A 48 11.029 -9.607 4.220 1.00 2.16 H new ATOM 0 HB3 ASP A 48 9.822 -9.056 5.365 1.00 2.16 H new ATOM 725 N SER A 49 13.252 -8.690 3.828 1.00 1.59 N ATOM 726 CA SER A 49 14.406 -8.734 2.937 1.00 2.11 C ATOM 727 C SER A 49 14.589 -10.137 2.372 1.00 1.90 C ATOM 728 O SER A 49 15.511 -10.856 2.759 1.00 2.33 O ATOM 729 CB SER A 49 15.663 -8.313 3.693 1.00 3.03 C ATOM 730 OG SER A 49 15.956 -6.945 3.450 1.00 3.81 O ATOM 0 H SER A 49 12.982 -9.596 4.211 1.00 1.59 H new ATOM 0 HA SER A 49 14.235 -8.044 2.111 1.00 2.11 H new ATOM 0 HB2 SER A 49 15.523 -8.477 4.762 1.00 3.03 H new ATOM 0 HB3 SER A 49 16.505 -8.932 3.383 1.00 3.03 H new ATOM 0 HG SER A 49 15.123 -6.429 3.438 1.00 3.81 H new ATOM 736 N GLU A 50 13.706 -10.524 1.457 1.00 1.92 N ATOM 737 CA GLU A 50 13.771 -11.844 0.841 1.00 2.27 C ATOM 738 C GLU A 50 13.416 -11.764 -0.639 1.00 2.09 C ATOM 739 O GLU A 50 12.247 -11.633 -1.001 1.00 2.74 O ATOM 740 CB GLU A 50 12.816 -12.798 1.553 1.00 3.06 C ATOM 741 CG GLU A 50 13.026 -14.242 1.104 1.00 3.83 C ATOM 742 CD GLU A 50 12.769 -14.375 -0.391 1.00 4.43 C ATOM 743 OE1 GLU A 50 11.590 -14.504 -0.784 1.00 4.97 O ATOM 744 OE2 GLU A 50 13.747 -14.348 -1.168 1.00 4.75 O ATOM 0 H GLU A 50 12.937 -9.942 1.126 1.00 1.92 H new ATOM 0 HA GLU A 50 14.790 -12.219 0.934 1.00 2.27 H new ATOM 0 HB2 GLU A 50 12.965 -12.726 2.630 1.00 3.06 H new ATOM 0 HB3 GLU A 50 11.787 -12.500 1.353 1.00 3.06 H new ATOM 0 HG2 GLU A 50 14.044 -14.557 1.334 1.00 3.83 H new ATOM 0 HG3 GLU A 50 12.356 -14.902 1.655 1.00 3.83 H new ATOM 751 N LYS A 51 14.434 -11.848 -1.491 1.00 1.76 N ATOM 752 CA LYS A 51 14.236 -11.788 -2.936 1.00 1.77 C ATOM 753 C LYS A 51 13.548 -10.487 -3.332 1.00 1.55 C ATOM 754 O LYS A 51 14.206 -9.520 -3.714 1.00 2.20 O ATOM 755 CB LYS A 51 13.409 -12.983 -3.402 1.00 2.14 C ATOM 756 CG LYS A 51 14.236 -14.265 -3.422 1.00 2.60 C ATOM 757 CD LYS A 51 13.680 -15.278 -4.419 1.00 3.36 C ATOM 758 CE LYS A 51 12.307 -15.789 -3.994 1.00 4.12 C ATOM 759 NZ LYS A 51 11.449 -16.089 -5.175 1.00 4.81 N ATOM 0 H LYS A 51 15.407 -11.958 -1.205 1.00 1.76 H new ATOM 0 HA LYS A 51 15.212 -11.822 -3.419 1.00 1.77 H new ATOM 0 HB2 LYS A 51 12.552 -13.113 -2.741 1.00 2.14 H new ATOM 0 HB3 LYS A 51 13.016 -12.787 -4.400 1.00 2.14 H new ATOM 0 HG2 LYS A 51 15.268 -14.029 -3.680 1.00 2.60 H new ATOM 0 HG3 LYS A 51 14.250 -14.705 -2.425 1.00 2.60 H new ATOM 0 HD2 LYS A 51 13.608 -14.818 -5.404 1.00 3.36 H new ATOM 0 HD3 LYS A 51 14.370 -16.117 -4.508 1.00 3.36 H new ATOM 0 HE2 LYS A 51 12.423 -16.688 -3.389 1.00 4.12 H new ATOM 0 HE3 LYS A 51 11.818 -15.044 -3.367 1.00 4.12 H new ATOM 0 HZ1 LYS A 51 10.523 -16.434 -4.852 1.00 4.81 H new ATOM 0 HZ2 LYS A 51 11.319 -15.225 -5.738 1.00 4.81 H new ATOM 0 HZ3 LYS A 51 11.906 -16.818 -5.760 1.00 4.81 H new ATOM 773 N SER A 52 12.221 -10.467 -3.242 1.00 1.19 N ATOM 774 CA SER A 52 11.448 -9.280 -3.594 1.00 1.04 C ATOM 775 C SER A 52 10.571 -8.845 -2.428 1.00 0.92 C ATOM 776 O SER A 52 10.692 -9.363 -1.318 1.00 1.19 O ATOM 777 CB SER A 52 10.580 -9.567 -4.816 1.00 1.25 C ATOM 778 OG SER A 52 9.884 -8.397 -5.218 1.00 2.03 O ATOM 0 H SER A 52 11.659 -11.259 -2.929 1.00 1.19 H new ATOM 0 HA SER A 52 12.142 -8.473 -3.827 1.00 1.04 H new ATOM 0 HB2 SER A 52 11.203 -9.926 -5.635 1.00 1.25 H new ATOM 0 HB3 SER A 52 9.868 -10.360 -4.586 1.00 1.25 H new ATOM 0 HG SER A 52 10.005 -8.259 -6.181 1.00 2.03 H new ATOM 784 N ASN A 53 9.685 -7.887 -2.685 1.00 0.68 N ATOM 785 CA ASN A 53 8.784 -7.377 -1.657 1.00 0.61 C ATOM 786 C ASN A 53 7.333 -7.535 -2.090 1.00 0.59 C ATOM 787 O ASN A 53 7.044 -7.742 -3.268 1.00 0.99 O ATOM 788 CB ASN A 53 9.082 -5.905 -1.383 1.00 0.60 C ATOM 789 CG ASN A 53 9.478 -5.707 0.075 1.00 0.89 C ATOM 790 OD1 ASN A 53 8.993 -6.410 0.961 1.00 1.68 O ATOM 791 ND2 ASN A 53 10.360 -4.747 0.322 1.00 1.28 N ATOM 0 H ASN A 53 9.572 -7.448 -3.599 1.00 0.68 H new ATOM 0 HA ASN A 53 8.942 -7.953 -0.745 1.00 0.61 H new ATOM 0 HB2 ASN A 53 9.886 -5.562 -2.035 1.00 0.60 H new ATOM 0 HB3 ASN A 53 8.205 -5.300 -1.614 1.00 0.60 H new ATOM 0 HD21 ASN A 53 10.663 -4.567 1.279 1.00 1.28 H new ATOM 0 HD22 ASN A 53 10.735 -4.189 -0.445 1.00 1.28 H new ATOM 798 N LEU A 54 6.422 -7.433 -1.129 1.00 0.55 N ATOM 799 CA LEU A 54 4.997 -7.561 -1.405 1.00 0.51 C ATOM 800 C LEU A 54 4.186 -6.765 -0.392 1.00 0.44 C ATOM 801 O LEU A 54 3.944 -7.226 0.723 1.00 0.57 O ATOM 802 CB LEU A 54 4.585 -9.030 -1.362 1.00 0.65 C ATOM 803 CG LEU A 54 4.124 -9.524 -2.731 1.00 0.82 C ATOM 804 CD1 LEU A 54 5.111 -10.541 -3.297 1.00 1.49 C ATOM 805 CD2 LEU A 54 2.723 -10.123 -2.643 1.00 1.49 C ATOM 0 H LEU A 54 6.646 -7.261 -0.149 1.00 0.55 H new ATOM 0 HA LEU A 54 4.799 -7.164 -2.401 1.00 0.51 H new ATOM 0 HB2 LEU A 54 5.425 -9.634 -1.020 1.00 0.65 H new ATOM 0 HB3 LEU A 54 3.782 -9.162 -0.637 1.00 0.65 H new ATOM 0 HG LEU A 54 4.088 -8.671 -3.408 1.00 0.82 H new ATOM 0 HD11 LEU A 54 4.764 -10.881 -4.273 1.00 1.49 H new ATOM 0 HD12 LEU A 54 6.092 -10.077 -3.402 1.00 1.49 H new ATOM 0 HD13 LEU A 54 5.183 -11.393 -2.621 1.00 1.49 H new ATOM 0 HD21 LEU A 54 2.413 -10.469 -3.629 1.00 1.49 H new ATOM 0 HD22 LEU A 54 2.730 -10.963 -1.949 1.00 1.49 H new ATOM 0 HD23 LEU A 54 2.025 -9.365 -2.288 1.00 1.49 H new ATOM 817 N ILE A 55 3.767 -5.567 -0.786 1.00 0.31 N ATOM 818 CA ILE A 55 2.982 -4.704 0.089 1.00 0.26 C ATOM 819 C ILE A 55 1.564 -5.242 0.234 1.00 0.27 C ATOM 820 O ILE A 55 0.996 -5.785 -0.712 1.00 0.34 O ATOM 821 CB ILE A 55 2.943 -3.286 -0.472 1.00 0.27 C ATOM 822 CG1 ILE A 55 4.355 -2.778 -0.753 1.00 0.31 C ATOM 823 CG2 ILE A 55 2.216 -2.347 0.484 1.00 0.31 C ATOM 824 CD1 ILE A 55 4.337 -1.378 -1.362 1.00 0.35 C ATOM 0 H ILE A 55 3.958 -5.171 -1.707 1.00 0.31 H new ATOM 0 HA ILE A 55 3.453 -4.687 1.072 1.00 0.26 H new ATOM 0 HB ILE A 55 2.393 -3.308 -1.413 1.00 0.27 H new ATOM 0 HG12 ILE A 55 4.929 -2.765 0.174 1.00 0.31 H new ATOM 0 HG13 ILE A 55 4.861 -3.464 -1.432 1.00 0.31 H new ATOM 0 HG21 ILE A 55 2.200 -1.341 0.064 1.00 0.31 H new ATOM 0 HG22 ILE A 55 1.194 -2.696 0.629 1.00 0.31 H new ATOM 0 HG23 ILE A 55 2.734 -2.332 1.443 1.00 0.31 H new ATOM 0 HD11 ILE A 55 5.359 -1.049 -1.548 1.00 0.35 H new ATOM 0 HD12 ILE A 55 3.785 -1.397 -2.302 1.00 0.35 H new ATOM 0 HD13 ILE A 55 3.854 -0.687 -0.671 1.00 0.35 H new ATOM 836 N ARG A 56 0.997 -5.087 1.426 1.00 0.29 N ATOM 837 CA ARG A 56 -0.357 -5.556 1.695 1.00 0.32 C ATOM 838 C ARG A 56 -1.336 -4.390 1.704 1.00 0.29 C ATOM 839 O ARG A 56 -1.320 -3.559 2.612 1.00 0.42 O ATOM 840 CB ARG A 56 -0.402 -6.281 3.037 1.00 0.42 C ATOM 841 CG ARG A 56 0.448 -7.549 3.018 1.00 0.55 C ATOM 842 CD ARG A 56 1.500 -7.536 4.123 1.00 0.84 C ATOM 843 NE ARG A 56 2.450 -8.625 3.937 1.00 1.44 N ATOM 844 CZ ARG A 56 2.940 -9.307 4.966 1.00 1.77 C ATOM 845 NH1 ARG A 56 2.935 -8.775 6.180 1.00 2.19 N ATOM 846 NH2 ARG A 56 3.439 -10.521 4.780 1.00 2.33 N ATOM 0 H ARG A 56 1.454 -4.640 2.221 1.00 0.29 H new ATOM 0 HA ARG A 56 -0.646 -6.248 0.904 1.00 0.32 H new ATOM 0 HB2 ARG A 56 -0.046 -5.615 3.823 1.00 0.42 H new ATOM 0 HB3 ARG A 56 -1.434 -6.537 3.279 1.00 0.42 H new ATOM 0 HG2 ARG A 56 -0.195 -8.421 3.137 1.00 0.55 H new ATOM 0 HG3 ARG A 56 0.938 -7.645 2.049 1.00 0.55 H new ATOM 0 HD2 ARG A 56 2.027 -6.582 4.120 1.00 0.84 H new ATOM 0 HD3 ARG A 56 1.016 -7.630 5.095 1.00 0.84 H new ATOM 0 HE ARG A 56 2.746 -8.870 2.992 1.00 1.44 H new ATOM 0 HH11 ARG A 56 2.554 -7.840 6.325 1.00 2.19 H new ATOM 0 HH12 ARG A 56 3.312 -9.301 6.969 1.00 2.19 H new ATOM 0 HH21 ARG A 56 3.447 -10.932 3.846 1.00 2.33 H new ATOM 0 HH22 ARG A 56 3.815 -11.044 5.571 1.00 2.33 H new ATOM 860 N ILE A 57 -2.189 -4.332 0.685 1.00 0.24 N ATOM 861 CA ILE A 57 -3.178 -3.268 0.572 1.00 0.24 C ATOM 862 C ILE A 57 -4.580 -3.818 0.780 1.00 0.26 C ATOM 863 O ILE A 57 -4.981 -4.784 0.131 1.00 0.40 O ATOM 864 CB ILE A 57 -3.082 -2.610 -0.800 1.00 0.26 C ATOM 865 CG1 ILE A 57 -1.643 -2.203 -1.102 1.00 0.28 C ATOM 866 CG2 ILE A 57 -4.008 -1.402 -0.888 1.00 0.35 C ATOM 867 CD1 ILE A 57 -1.147 -1.136 -0.131 1.00 1.32 C ATOM 0 H ILE A 57 -2.214 -5.012 -0.075 1.00 0.24 H new ATOM 0 HA ILE A 57 -2.975 -2.525 1.343 1.00 0.24 H new ATOM 0 HB ILE A 57 -3.398 -3.338 -1.547 1.00 0.26 H new ATOM 0 HG12 ILE A 57 -0.996 -3.079 -1.043 1.00 0.28 H new ATOM 0 HG13 ILE A 57 -1.577 -1.826 -2.123 1.00 0.28 H new ATOM 0 HG21 ILE A 57 -3.922 -0.949 -1.876 1.00 0.35 H new ATOM 0 HG22 ILE A 57 -5.037 -1.720 -0.723 1.00 0.35 H new ATOM 0 HG23 ILE A 57 -3.727 -0.672 -0.129 1.00 0.35 H new ATOM 0 HD11 ILE A 57 -0.119 -0.871 -0.376 1.00 1.32 H new ATOM 0 HD12 ILE A 57 -1.779 -0.251 -0.209 1.00 1.32 H new ATOM 0 HD13 ILE A 57 -1.189 -1.523 0.887 1.00 1.32 H new ATOM 879 N GLU A 58 -5.327 -3.197 1.686 1.00 0.23 N ATOM 880 CA GLU A 58 -6.690 -3.624 1.974 1.00 0.25 C ATOM 881 C GLU A 58 -7.509 -2.450 2.484 1.00 0.24 C ATOM 882 O GLU A 58 -7.060 -1.692 3.344 1.00 0.26 O ATOM 883 CB GLU A 58 -6.687 -4.747 3.005 1.00 0.32 C ATOM 884 CG GLU A 58 -8.103 -5.196 3.355 1.00 0.37 C ATOM 885 CD GLU A 58 -8.063 -6.310 4.393 1.00 0.82 C ATOM 886 OE1 GLU A 58 -7.189 -7.195 4.282 1.00 1.47 O ATOM 887 OE2 GLU A 58 -8.905 -6.296 5.315 1.00 1.56 O ATOM 0 H GLU A 58 -5.011 -2.396 2.233 1.00 0.23 H new ATOM 0 HA GLU A 58 -7.140 -3.996 1.054 1.00 0.25 H new ATOM 0 HB2 GLU A 58 -6.122 -5.595 2.618 1.00 0.32 H new ATOM 0 HB3 GLU A 58 -6.178 -4.410 3.908 1.00 0.32 H new ATOM 0 HG2 GLU A 58 -8.675 -4.352 3.740 1.00 0.37 H new ATOM 0 HG3 GLU A 58 -8.614 -5.544 2.457 1.00 0.37 H new ATOM 894 N GLY A 59 -8.708 -2.299 1.940 1.00 0.25 N ATOM 895 CA GLY A 59 -9.590 -1.208 2.328 1.00 0.27 C ATOM 896 C GLY A 59 -11.026 -1.493 1.924 1.00 0.39 C ATOM 897 O GLY A 59 -11.530 -2.602 2.109 1.00 0.59 O ATOM 0 H GLY A 59 -9.093 -2.919 1.228 1.00 0.25 H new ATOM 0 HA2 GLY A 59 -9.536 -1.059 3.406 1.00 0.27 H new ATOM 0 HA3 GLY A 59 -9.255 -0.282 1.861 1.00 0.27 H new ATOM 901 N ASP A 60 -11.677 -0.484 1.364 1.00 0.53 N ATOM 902 CA ASP A 60 -13.039 -0.590 0.917 1.00 0.70 C ATOM 903 C ASP A 60 -13.032 -1.155 -0.518 1.00 0.59 C ATOM 904 O ASP A 60 -12.041 -1.756 -0.926 1.00 1.04 O ATOM 905 CB ASP A 60 -13.649 0.811 1.042 1.00 1.22 C ATOM 906 CG ASP A 60 -14.586 0.886 2.241 1.00 1.93 C ATOM 907 OD1 ASP A 60 -15.238 -0.134 2.549 1.00 2.31 O ATOM 908 OD2 ASP A 60 -14.666 1.961 2.870 1.00 2.66 O ATOM 0 H ASP A 60 -11.262 0.435 1.210 1.00 0.53 H new ATOM 0 HA ASP A 60 -13.648 -1.273 1.509 1.00 0.70 H new ATOM 0 HB2 ASP A 60 -12.855 1.550 1.148 1.00 1.22 H new ATOM 0 HB3 ASP A 60 -14.195 1.058 0.132 1.00 1.22 H new ATOM 913 N PRO A 61 -14.112 -1.005 -1.305 1.00 0.72 N ATOM 914 CA PRO A 61 -14.155 -1.540 -2.671 1.00 1.14 C ATOM 915 C PRO A 61 -13.432 -0.649 -3.680 1.00 0.88 C ATOM 916 O PRO A 61 -12.673 -1.139 -4.516 1.00 1.22 O ATOM 917 CB PRO A 61 -15.647 -1.617 -2.976 1.00 1.82 C ATOM 918 CG PRO A 61 -16.290 -0.597 -2.096 1.00 1.82 C ATOM 919 CD PRO A 61 -15.355 -0.330 -0.943 1.00 1.17 C ATOM 0 HA PRO A 61 -13.645 -2.501 -2.746 1.00 1.14 H new ATOM 0 HB2 PRO A 61 -15.843 -1.407 -4.027 1.00 1.82 H new ATOM 0 HB3 PRO A 61 -16.038 -2.614 -2.771 1.00 1.82 H new ATOM 0 HG2 PRO A 61 -16.483 0.320 -2.652 1.00 1.82 H new ATOM 0 HG3 PRO A 61 -17.252 -0.958 -1.732 1.00 1.82 H new ATOM 0 HD2 PRO A 61 -15.197 0.739 -0.801 1.00 1.17 H new ATOM 0 HD3 PRO A 61 -15.759 -0.719 -0.008 1.00 1.17 H new ATOM 927 N GLN A 62 -13.682 0.654 -3.609 1.00 0.64 N ATOM 928 CA GLN A 62 -13.063 1.602 -4.533 1.00 0.47 C ATOM 929 C GLN A 62 -11.801 2.219 -3.937 1.00 0.41 C ATOM 930 O GLN A 62 -10.750 2.237 -4.574 1.00 0.47 O ATOM 931 CB GLN A 62 -14.059 2.702 -4.886 1.00 0.69 C ATOM 932 CG GLN A 62 -15.041 2.243 -5.960 1.00 0.85 C ATOM 933 CD GLN A 62 -14.970 3.162 -7.173 1.00 1.34 C ATOM 934 OE1 GLN A 62 -13.923 3.742 -7.465 1.00 2.14 O ATOM 935 NE2 GLN A 62 -16.085 3.294 -7.882 1.00 1.73 N ATOM 0 H GLN A 62 -14.307 1.079 -2.924 1.00 0.64 H new ATOM 0 HA GLN A 62 -12.779 1.059 -5.434 1.00 0.47 H new ATOM 0 HB2 GLN A 62 -14.608 2.998 -3.992 1.00 0.69 H new ATOM 0 HB3 GLN A 62 -13.521 3.583 -5.236 1.00 0.69 H new ATOM 0 HG2 GLN A 62 -14.812 1.220 -6.257 1.00 0.85 H new ATOM 0 HG3 GLN A 62 -16.054 2.239 -5.558 1.00 0.85 H new ATOM 0 HE21 GLN A 62 -16.929 2.794 -7.603 1.00 1.73 H new ATOM 0 HE22 GLN A 62 -16.097 3.895 -8.706 1.00 1.73 H new ATOM 944 N GLY A 63 -11.917 2.737 -2.721 1.00 0.37 N ATOM 945 CA GLY A 63 -10.793 3.374 -2.039 1.00 0.34 C ATOM 946 C GLY A 63 -9.529 2.519 -2.083 1.00 0.27 C ATOM 947 O GLY A 63 -8.444 3.023 -2.375 1.00 0.29 O ATOM 0 H GLY A 63 -12.783 2.729 -2.182 1.00 0.37 H new ATOM 0 HA2 GLY A 63 -10.591 4.341 -2.501 1.00 0.34 H new ATOM 0 HA3 GLY A 63 -11.063 3.567 -1.001 1.00 0.34 H new ATOM 951 N VAL A 64 -9.664 1.234 -1.774 1.00 0.24 N ATOM 952 CA VAL A 64 -8.518 0.329 -1.760 1.00 0.21 C ATOM 953 C VAL A 64 -7.939 0.129 -3.161 1.00 0.24 C ATOM 954 O VAL A 64 -6.725 0.179 -3.349 1.00 0.28 O ATOM 955 CB VAL A 64 -8.920 -1.010 -1.130 1.00 0.24 C ATOM 956 CG1 VAL A 64 -9.665 -1.909 -2.119 1.00 0.30 C ATOM 957 CG2 VAL A 64 -7.696 -1.724 -0.568 1.00 0.26 C ATOM 0 H VAL A 64 -10.552 0.796 -1.530 1.00 0.24 H new ATOM 0 HA VAL A 64 -7.732 0.781 -1.154 1.00 0.21 H new ATOM 0 HB VAL A 64 -9.607 -0.793 -0.312 1.00 0.24 H new ATOM 0 HG11 VAL A 64 -9.930 -2.846 -1.630 1.00 0.30 H new ATOM 0 HG12 VAL A 64 -10.572 -1.406 -2.456 1.00 0.30 H new ATOM 0 HG13 VAL A 64 -9.025 -2.116 -2.976 1.00 0.30 H new ATOM 0 HG21 VAL A 64 -8.000 -2.672 -0.125 1.00 0.26 H new ATOM 0 HG22 VAL A 64 -6.983 -1.911 -1.371 1.00 0.26 H new ATOM 0 HG23 VAL A 64 -7.229 -1.100 0.194 1.00 0.26 H new ATOM 967 N GLN A 65 -8.810 -0.104 -4.136 1.00 0.25 N ATOM 968 CA GLN A 65 -8.372 -0.318 -5.513 1.00 0.30 C ATOM 969 C GLN A 65 -7.807 0.967 -6.108 1.00 0.30 C ATOM 970 O GLN A 65 -6.945 0.928 -6.985 1.00 0.34 O ATOM 971 CB GLN A 65 -9.539 -0.813 -6.361 1.00 0.37 C ATOM 972 CG GLN A 65 -10.716 0.154 -6.307 1.00 0.42 C ATOM 973 CD GLN A 65 -11.819 -0.299 -7.255 1.00 0.78 C ATOM 974 OE1 GLN A 65 -12.356 -1.399 -7.118 1.00 1.56 O ATOM 975 NE2 GLN A 65 -12.155 0.547 -8.221 1.00 0.82 N ATOM 0 H GLN A 65 -9.820 -0.150 -4.001 1.00 0.25 H new ATOM 0 HA GLN A 65 -7.585 -1.072 -5.509 1.00 0.30 H new ATOM 0 HB2 GLN A 65 -9.214 -0.935 -7.394 1.00 0.37 H new ATOM 0 HB3 GLN A 65 -9.856 -1.794 -6.009 1.00 0.37 H new ATOM 0 HG2 GLN A 65 -11.103 0.210 -5.289 1.00 0.42 H new ATOM 0 HG3 GLN A 65 -10.384 1.156 -6.577 1.00 0.42 H new ATOM 0 HE21 GLN A 65 -11.683 1.448 -8.297 1.00 0.82 H new ATOM 0 HE22 GLN A 65 -12.885 0.296 -8.888 1.00 0.82 H new ATOM 984 N GLN A 66 -8.298 2.104 -5.628 1.00 0.29 N ATOM 985 CA GLN A 66 -7.843 3.402 -6.113 1.00 0.31 C ATOM 986 C GLN A 66 -6.426 3.685 -5.634 1.00 0.29 C ATOM 987 O GLN A 66 -5.554 4.050 -6.424 1.00 0.36 O ATOM 988 CB GLN A 66 -8.782 4.500 -5.626 1.00 0.35 C ATOM 989 CG GLN A 66 -10.007 4.630 -6.527 1.00 0.79 C ATOM 990 CD GLN A 66 -9.670 5.457 -7.761 1.00 1.10 C ATOM 991 OE1 GLN A 66 -8.511 5.547 -8.163 1.00 2.03 O ATOM 992 NE2 GLN A 66 -10.687 6.061 -8.365 1.00 1.31 N ATOM 0 H GLN A 66 -9.013 2.153 -4.902 1.00 0.29 H new ATOM 0 HA GLN A 66 -7.846 3.384 -7.203 1.00 0.31 H new ATOM 0 HB2 GLN A 66 -9.101 4.282 -4.607 1.00 0.35 H new ATOM 0 HB3 GLN A 66 -8.248 5.450 -5.597 1.00 0.35 H new ATOM 0 HG2 GLN A 66 -10.353 3.641 -6.827 1.00 0.79 H new ATOM 0 HG3 GLN A 66 -10.823 5.100 -5.978 1.00 0.79 H new ATOM 0 HE21 GLN A 66 -11.633 5.959 -7.997 1.00 1.31 H new ATOM 0 HE22 GLN A 66 -10.522 6.627 -9.197 1.00 1.31 H new ATOM 1001 N ALA A 67 -6.201 3.518 -4.336 1.00 0.26 N ATOM 1002 CA ALA A 67 -4.888 3.756 -3.748 1.00 0.27 C ATOM 1003 C ALA A 67 -3.888 2.712 -4.227 1.00 0.26 C ATOM 1004 O ALA A 67 -2.713 3.014 -4.439 1.00 0.30 O ATOM 1005 CB ALA A 67 -4.984 3.721 -2.225 1.00 0.29 C ATOM 0 H ALA A 67 -6.912 3.218 -3.669 1.00 0.26 H new ATOM 0 HA ALA A 67 -4.542 4.740 -4.064 1.00 0.27 H new ATOM 0 HB1 ALA A 67 -3.999 3.900 -1.794 1.00 0.29 H new ATOM 0 HB2 ALA A 67 -5.674 4.494 -1.886 1.00 0.29 H new ATOM 0 HB3 ALA A 67 -5.348 2.744 -1.906 1.00 0.29 H new ATOM 1011 N LYS A 68 -4.360 1.481 -4.398 1.00 0.25 N ATOM 1012 CA LYS A 68 -3.506 0.389 -4.856 1.00 0.28 C ATOM 1013 C LYS A 68 -2.931 0.703 -6.231 1.00 0.31 C ATOM 1014 O LYS A 68 -1.714 0.785 -6.403 1.00 0.44 O ATOM 1015 CB LYS A 68 -4.306 -0.908 -4.912 1.00 0.32 C ATOM 1016 CG LYS A 68 -3.455 -2.072 -5.412 1.00 0.37 C ATOM 1017 CD LYS A 68 -4.101 -2.768 -6.606 1.00 0.43 C ATOM 1018 CE LYS A 68 -3.066 -3.498 -7.459 1.00 0.57 C ATOM 1019 NZ LYS A 68 -3.535 -3.652 -8.865 1.00 0.88 N ATOM 0 H LYS A 68 -5.329 1.214 -4.226 1.00 0.25 H new ATOM 0 HA LYS A 68 -2.682 0.272 -4.152 1.00 0.28 H new ATOM 0 HB2 LYS A 68 -4.694 -1.140 -3.920 1.00 0.32 H new ATOM 0 HB3 LYS A 68 -5.166 -0.777 -5.568 1.00 0.32 H new ATOM 0 HG2 LYS A 68 -2.467 -1.707 -5.694 1.00 0.37 H new ATOM 0 HG3 LYS A 68 -3.311 -2.791 -4.605 1.00 0.37 H new ATOM 0 HD2 LYS A 68 -4.849 -3.478 -6.253 1.00 0.43 H new ATOM 0 HD3 LYS A 68 -4.624 -2.033 -7.217 1.00 0.43 H new ATOM 0 HE2 LYS A 68 -2.126 -2.946 -7.445 1.00 0.57 H new ATOM 0 HE3 LYS A 68 -2.866 -4.480 -7.030 1.00 0.57 H new ATOM 0 HZ1 LYS A 68 -3.051 -4.460 -9.306 1.00 0.88 H new ATOM 0 HZ2 LYS A 68 -4.562 -3.817 -8.872 1.00 0.88 H new ATOM 0 HZ3 LYS A 68 -3.320 -2.786 -9.400 1.00 0.88 H new ATOM 1033 N ARG A 69 -3.815 0.877 -7.208 1.00 0.36 N ATOM 1034 CA ARG A 69 -3.401 1.181 -8.572 1.00 0.43 C ATOM 1035 C ARG A 69 -2.643 2.502 -8.619 1.00 0.42 C ATOM 1036 O ARG A 69 -1.638 2.627 -9.319 1.00 0.46 O ATOM 1037 CB ARG A 69 -4.622 1.250 -9.486 1.00 0.50 C ATOM 1038 CG ARG A 69 -4.940 -0.109 -10.101 1.00 1.02 C ATOM 1039 CD ARG A 69 -6.346 -0.580 -9.736 1.00 1.36 C ATOM 1040 NE ARG A 69 -6.951 -1.289 -10.858 1.00 1.81 N ATOM 1041 CZ ARG A 69 -7.797 -2.297 -10.674 1.00 2.35 C ATOM 1042 NH1 ARG A 69 -7.413 -3.375 -10.001 1.00 2.98 N ATOM 1043 NH2 ARG A 69 -9.029 -2.230 -11.161 1.00 2.76 N ATOM 0 H ARG A 69 -4.825 0.812 -7.079 1.00 0.36 H new ATOM 0 HA ARG A 69 -2.739 0.387 -8.918 1.00 0.43 H new ATOM 0 HB2 ARG A 69 -5.483 1.604 -8.918 1.00 0.50 H new ATOM 0 HB3 ARG A 69 -4.443 1.976 -10.279 1.00 0.50 H new ATOM 0 HG2 ARG A 69 -4.847 -0.048 -11.185 1.00 1.02 H new ATOM 0 HG3 ARG A 69 -4.210 -0.843 -9.759 1.00 1.02 H new ATOM 0 HD2 ARG A 69 -6.303 -1.234 -8.865 1.00 1.36 H new ATOM 0 HD3 ARG A 69 -6.964 0.275 -9.462 1.00 1.36 H new ATOM 0 HE ARG A 69 -6.718 -1.003 -11.809 1.00 1.81 H new ATOM 0 HH11 ARG A 69 -6.467 -3.431 -9.624 1.00 2.98 H new ATOM 0 HH12 ARG A 69 -8.064 -4.148 -9.861 1.00 2.98 H new ATOM 0 HH21 ARG A 69 -9.329 -1.403 -11.678 1.00 2.76 H new ATOM 0 HH22 ARG A 69 -9.677 -3.005 -11.018 1.00 2.76 H new ATOM 1057 N GLU A 70 -3.130 3.486 -7.870 1.00 0.40 N ATOM 1058 CA GLU A 70 -2.500 4.800 -7.825 1.00 0.43 C ATOM 1059 C GLU A 70 -1.052 4.681 -7.364 1.00 0.44 C ATOM 1060 O GLU A 70 -0.159 5.318 -7.921 1.00 0.56 O ATOM 1061 CB GLU A 70 -3.272 5.717 -6.880 1.00 0.44 C ATOM 1062 CG GLU A 70 -2.727 7.141 -6.905 1.00 0.59 C ATOM 1063 CD GLU A 70 -3.436 7.963 -7.974 1.00 0.82 C ATOM 1064 OE1 GLU A 70 -4.603 7.647 -8.293 1.00 1.50 O ATOM 1065 OE2 GLU A 70 -2.825 8.922 -8.491 1.00 1.38 O ATOM 0 H GLU A 70 -3.961 3.398 -7.285 1.00 0.40 H new ATOM 0 HA GLU A 70 -2.514 5.226 -8.828 1.00 0.43 H new ATOM 0 HB2 GLU A 70 -4.325 5.726 -7.161 1.00 0.44 H new ATOM 0 HB3 GLU A 70 -3.216 5.324 -5.865 1.00 0.44 H new ATOM 0 HG2 GLU A 70 -2.864 7.607 -5.929 1.00 0.59 H new ATOM 0 HG3 GLU A 70 -1.655 7.123 -7.102 1.00 0.59 H new ATOM 1072 N LEU A 71 -0.829 3.860 -6.343 1.00 0.40 N ATOM 1073 CA LEU A 71 0.511 3.653 -5.803 1.00 0.47 C ATOM 1074 C LEU A 71 1.443 3.107 -6.876 1.00 0.52 C ATOM 1075 O LEU A 71 2.535 3.633 -7.089 1.00 0.60 O ATOM 1076 CB LEU A 71 0.454 2.685 -4.625 1.00 0.51 C ATOM 1077 CG LEU A 71 0.474 3.423 -3.290 1.00 0.78 C ATOM 1078 CD1 LEU A 71 -0.408 2.713 -2.266 1.00 1.15 C ATOM 1079 CD2 LEU A 71 1.902 3.560 -2.769 1.00 1.08 C ATOM 0 H LEU A 71 -1.560 3.326 -5.872 1.00 0.40 H new ATOM 0 HA LEU A 71 0.898 4.613 -5.462 1.00 0.47 H new ATOM 0 HB2 LEU A 71 -0.450 2.080 -4.694 1.00 0.51 H new ATOM 0 HB3 LEU A 71 1.300 2.000 -4.675 1.00 0.51 H new ATOM 0 HG LEU A 71 0.072 4.424 -3.450 1.00 0.78 H new ATOM 0 HD11 LEU A 71 -0.379 3.256 -1.322 1.00 1.15 H new ATOM 0 HD12 LEU A 71 -1.434 2.677 -2.632 1.00 1.15 H new ATOM 0 HD13 LEU A 71 -0.042 1.698 -2.112 1.00 1.15 H new ATOM 0 HD21 LEU A 71 1.892 4.089 -1.816 1.00 1.08 H new ATOM 0 HD22 LEU A 71 2.335 2.569 -2.630 1.00 1.08 H new ATOM 0 HD23 LEU A 71 2.500 4.119 -3.489 1.00 1.08 H new ATOM 1091 N LEU A 72 1.011 2.047 -7.547 1.00 0.52 N ATOM 1092 CA LEU A 72 1.811 1.429 -8.598 1.00 0.63 C ATOM 1093 C LEU A 72 2.211 2.457 -9.650 1.00 0.67 C ATOM 1094 O LEU A 72 3.202 2.278 -10.359 1.00 0.83 O ATOM 1095 CB LEU A 72 1.025 0.297 -9.254 1.00 0.66 C ATOM 1096 CG LEU A 72 0.801 -0.866 -8.290 1.00 0.88 C ATOM 1097 CD1 LEU A 72 -0.449 -1.653 -8.676 1.00 1.99 C ATOM 1098 CD2 LEU A 72 2.022 -1.778 -8.252 1.00 1.04 C ATOM 0 H LEU A 72 0.111 1.597 -7.382 1.00 0.52 H new ATOM 0 HA LEU A 72 2.717 1.026 -8.146 1.00 0.63 H new ATOM 0 HB2 LEU A 72 0.062 0.674 -9.599 1.00 0.66 H new ATOM 0 HB3 LEU A 72 1.562 -0.057 -10.134 1.00 0.66 H new ATOM 0 HG LEU A 72 0.651 -0.457 -7.291 1.00 0.88 H new ATOM 0 HD11 LEU A 72 -0.591 -2.477 -7.977 1.00 1.99 H new ATOM 0 HD12 LEU A 72 -1.318 -0.995 -8.643 1.00 1.99 H new ATOM 0 HD13 LEU A 72 -0.332 -2.049 -9.685 1.00 1.99 H new ATOM 0 HD21 LEU A 72 1.841 -2.600 -7.559 1.00 1.04 H new ATOM 0 HD22 LEU A 72 2.208 -2.178 -9.249 1.00 1.04 H new ATOM 0 HD23 LEU A 72 2.891 -1.209 -7.921 1.00 1.04 H new ATOM 1110 N GLU A 73 1.437 3.533 -9.751 1.00 0.64 N ATOM 1111 CA GLU A 73 1.711 4.587 -10.721 1.00 0.74 C ATOM 1112 C GLU A 73 2.630 5.645 -10.121 1.00 0.71 C ATOM 1113 O GLU A 73 3.770 5.809 -10.555 1.00 0.88 O ATOM 1114 CB GLU A 73 0.404 5.230 -11.172 1.00 0.82 C ATOM 1115 CG GLU A 73 -0.106 4.614 -12.473 1.00 1.00 C ATOM 1116 CD GLU A 73 -0.134 5.661 -13.579 1.00 1.41 C ATOM 1117 OE1 GLU A 73 0.952 6.052 -14.054 1.00 2.01 O ATOM 1118 OE2 GLU A 73 -1.242 6.088 -13.967 1.00 2.05 O ATOM 0 H GLU A 73 0.614 3.698 -9.172 1.00 0.64 H new ATOM 0 HA GLU A 73 2.210 4.143 -11.582 1.00 0.74 H new ATOM 0 HB2 GLU A 73 -0.349 5.111 -10.393 1.00 0.82 H new ATOM 0 HB3 GLU A 73 0.553 6.301 -11.310 1.00 0.82 H new ATOM 0 HG2 GLU A 73 0.536 3.783 -12.766 1.00 1.00 H new ATOM 0 HG3 GLU A 73 -1.106 4.207 -12.323 1.00 1.00 H new ATOM 1125 N LEU A 74 2.126 6.364 -9.124 1.00 0.64 N ATOM 1126 CA LEU A 74 2.900 7.410 -8.464 1.00 0.71 C ATOM 1127 C LEU A 74 4.088 6.813 -7.721 1.00 0.82 C ATOM 1128 O LEU A 74 5.241 7.114 -8.033 1.00 1.13 O ATOM 1129 CB LEU A 74 2.011 8.179 -7.491 1.00 0.85 C ATOM 1130 CG LEU A 74 0.751 8.700 -8.177 1.00 0.99 C ATOM 1131 CD1 LEU A 74 -0.106 9.499 -7.200 1.00 1.19 C ATOM 1132 CD2 LEU A 74 1.111 9.544 -9.396 1.00 1.32 C ATOM 0 H LEU A 74 1.183 6.242 -8.754 1.00 0.64 H new ATOM 0 HA LEU A 74 3.276 8.094 -9.225 1.00 0.71 H new ATOM 0 HB2 LEU A 74 1.733 7.530 -6.660 1.00 0.85 H new ATOM 0 HB3 LEU A 74 2.569 9.015 -7.069 1.00 0.85 H new ATOM 0 HG LEU A 74 0.169 7.843 -8.516 1.00 0.99 H new ATOM 0 HD11 LEU A 74 -0.999 9.861 -7.711 1.00 1.19 H new ATOM 0 HD12 LEU A 74 -0.398 8.861 -6.366 1.00 1.19 H new ATOM 0 HD13 LEU A 74 0.466 10.347 -6.824 1.00 1.19 H new ATOM 0 HD21 LEU A 74 0.199 9.906 -9.870 1.00 1.32 H new ATOM 0 HD22 LEU A 74 1.719 10.393 -9.084 1.00 1.32 H new ATOM 0 HD23 LEU A 74 1.673 8.937 -10.106 1.00 1.32 H new ATOM 1144 N ALA A 75 3.802 5.965 -6.741 1.00 0.78 N ATOM 1145 CA ALA A 75 4.847 5.321 -5.953 1.00 0.99 C ATOM 1146 C ALA A 75 5.698 6.361 -5.236 1.00 1.70 C ATOM 1147 O ALA A 75 6.869 6.555 -5.569 1.00 2.16 O ATOM 1148 CB ALA A 75 5.727 4.464 -6.857 1.00 1.14 C ATOM 0 H ALA A 75 2.853 5.706 -6.472 1.00 0.78 H new ATOM 0 HA ALA A 75 4.373 4.686 -5.205 1.00 0.99 H new ATOM 0 HB1 ALA A 75 6.505 3.987 -6.261 1.00 1.14 H new ATOM 0 HB2 ALA A 75 5.118 3.699 -7.339 1.00 1.14 H new ATOM 0 HB3 ALA A 75 6.188 5.093 -7.618 1.00 1.14 H new