USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 558 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 71 MET CE :methyl 172:sc= -0.235 (180deg=-0.424) USER MOD Set 1.2: A 72 THR OG1 : rot 130:sc= -0.0312 USER MOD Set 2.1: A 51 ASN : amide:sc= -0.227! C(o=0.29!,f=-2.3!) USER MOD Set 2.2: A 74 CYS SG : rot 122:sc= 0.514 USER MOD Set 3.1: A 32 GLN : amide:sc= 0.357 K(o=2.3,f=0.65) USER MOD Set 3.2: A 42 THR OG1 : rot -120:sc= 1.02 USER MOD Set 3.3: A 44 THR OG1 : rot 112:sc= 0.893 USER MOD Set 4.1: A 35 GLN : amide:sc= 1.07 K(o=1.4,f=-4.9) USER MOD Set 4.2: A 48 GLN : amide:sc= 0.326 K(o=1.4,f=-4.2!) USER MOD Set 5.1: A 26 LYS NZ :NH3+ -168:sc= 1.01 (180deg=-0.0774) USER MOD Set 5.2: A 27 THR OG1 : rot 170:sc= 0.926 USER MOD Set 6.1: A 25 TYR OH : rot 145:sc= 0.357 USER MOD Set 6.2: A 39 ASN : amide:sc= 0.281 K(o=0.64,f=-1.7!) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=-0.056) USER MOD Single : A 14 LYS NZ :NH3+ 153:sc= 1.06 (180deg=0.412) USER MOD Single : A 20 TYR OH : rot 151:sc= 1.29 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 153:sc= 1.21 (180deg=-1.51!) USER MOD Single : A 41 MET CE :methyl 143:sc= -0.025 (180deg=-0.663) USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=-0.5) USER MOD Single : A 54 CYS SG : rot 180:sc= -0.302 USER MOD Single : A 55 LYS NZ :NH3+ -151:sc= 0.931 (180deg=-0.98!) USER MOD Single : A 56 THR OG1 : rot 85:sc= 0.229 USER MOD Single : A 59 LYS NZ :NH3+ -179:sc= 1.12 (180deg=1.1) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.0194 USER MOD Single : A 70 MET CE :methyl 169:sc= -0.0203 (180deg=-0.189) USER MOD Single : A 75 GLN : amide:sc= -0.094 X(o=-0.094,f=-0.016) USER MOD ----------------------------------------------------------------- ATOM 70 N ILE A 6 1.990 -11.924 1.690 1.00 0.00 N ATOM 71 CA ILE A 6 1.647 -12.787 2.834 1.00 0.00 C ATOM 72 C ILE A 6 1.682 -12.009 4.148 1.00 0.00 C ATOM 73 O ILE A 6 0.648 -11.932 4.803 1.00 0.00 O ATOM 74 CB ILE A 6 2.464 -14.102 2.894 1.00 0.00 C ATOM 75 CG1 ILE A 6 2.610 -14.695 4.319 1.00 0.00 C ATOM 76 CG2 ILE A 6 3.870 -13.985 2.273 1.00 0.00 C ATOM 77 CD1 ILE A 6 1.339 -14.849 5.185 1.00 0.00 C ATOM 0 HA ILE A 6 0.619 -13.110 2.673 1.00 0.00 H new ATOM 0 HB ILE A 6 1.862 -14.784 2.293 1.00 0.00 H new ATOM 0 HG12 ILE A 6 3.068 -15.680 4.224 1.00 0.00 H new ATOM 0 HG13 ILE A 6 3.312 -14.069 4.869 1.00 0.00 H new ATOM 0 HG21 ILE A 6 4.383 -14.943 2.351 1.00 0.00 H new ATOM 0 HG22 ILE A 6 3.782 -13.705 1.223 1.00 0.00 H new ATOM 0 HG23 ILE A 6 4.441 -13.224 2.805 1.00 0.00 H new ATOM 0 HD11 ILE A 6 1.607 -15.277 6.151 1.00 0.00 H new ATOM 0 HD12 ILE A 6 0.881 -13.872 5.335 1.00 0.00 H new ATOM 0 HD13 ILE A 6 0.632 -15.507 4.680 1.00 0.00 H new ATOM 89 N LEU A 7 2.806 -11.381 4.514 1.00 0.00 N ATOM 90 CA LEU A 7 2.970 -10.805 5.856 1.00 0.00 C ATOM 91 C LEU A 7 2.151 -9.530 6.144 1.00 0.00 C ATOM 92 O LEU A 7 2.313 -8.903 7.188 1.00 0.00 O ATOM 93 CB LEU A 7 4.450 -10.640 6.254 1.00 0.00 C ATOM 94 CG LEU A 7 5.404 -11.805 5.915 1.00 0.00 C ATOM 95 CD1 LEU A 7 6.175 -11.526 4.622 1.00 0.00 C ATOM 96 CD2 LEU A 7 6.447 -11.994 7.016 1.00 0.00 C ATOM 0 H LEU A 7 3.613 -11.259 3.903 1.00 0.00 H new ATOM 0 HA LEU A 7 2.528 -11.559 6.508 1.00 0.00 H new ATOM 0 HB2 LEU A 7 4.831 -9.740 5.772 1.00 0.00 H new ATOM 0 HB3 LEU A 7 4.494 -10.469 7.330 1.00 0.00 H new ATOM 0 HG LEU A 7 4.783 -12.695 5.811 1.00 0.00 H new ATOM 0 HD11 LEU A 7 6.840 -12.363 4.407 1.00 0.00 H new ATOM 0 HD12 LEU A 7 5.472 -11.400 3.799 1.00 0.00 H new ATOM 0 HD13 LEU A 7 6.763 -10.616 4.738 1.00 0.00 H new ATOM 0 HD21 LEU A 7 7.107 -12.821 6.754 1.00 0.00 H new ATOM 0 HD22 LEU A 7 7.033 -11.081 7.122 1.00 0.00 H new ATOM 0 HD23 LEU A 7 5.946 -12.215 7.958 1.00 0.00 H new ATOM 108 N ASP A 8 1.222 -9.232 5.244 1.00 0.00 N ATOM 109 CA ASP A 8 0.229 -8.160 5.296 1.00 0.00 C ATOM 110 C ASP A 8 -1.184 -8.779 5.286 1.00 0.00 C ATOM 111 O ASP A 8 -1.992 -8.489 6.167 1.00 0.00 O ATOM 112 CB ASP A 8 0.509 -7.225 4.113 1.00 0.00 C ATOM 113 CG ASP A 8 -0.444 -6.037 4.039 1.00 0.00 C ATOM 114 OD1 ASP A 8 -0.399 -5.196 4.960 1.00 0.00 O ATOM 115 OD2 ASP A 8 -1.161 -5.962 3.013 1.00 0.00 O ATOM 0 H ASP A 8 1.135 -9.778 4.387 1.00 0.00 H new ATOM 0 HA ASP A 8 0.290 -7.570 6.210 1.00 0.00 H new ATOM 0 HB2 ASP A 8 1.532 -6.856 4.186 1.00 0.00 H new ATOM 0 HB3 ASP A 8 0.440 -7.794 3.186 1.00 0.00 H new ATOM 120 N ILE A 9 -1.425 -9.827 4.480 1.00 0.00 N ATOM 121 CA ILE A 9 -2.672 -10.631 4.575 1.00 0.00 C ATOM 122 C ILE A 9 -2.634 -11.648 5.720 1.00 0.00 C ATOM 123 O ILE A 9 -3.456 -12.559 5.823 1.00 0.00 O ATOM 124 CB ILE A 9 -3.042 -11.354 3.266 1.00 0.00 C ATOM 125 CG1 ILE A 9 -2.033 -12.463 2.913 1.00 0.00 C ATOM 126 CG2 ILE A 9 -3.226 -10.406 2.077 1.00 0.00 C ATOM 127 CD1 ILE A 9 -2.687 -13.552 2.078 1.00 0.00 C ATOM 0 H ILE A 9 -0.780 -10.142 3.756 1.00 0.00 H new ATOM 0 HA ILE A 9 -3.448 -9.894 4.782 1.00 0.00 H new ATOM 0 HB ILE A 9 -4.011 -11.814 3.461 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -1.194 -12.035 2.365 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -1.628 -12.896 3.828 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -3.485 -10.982 1.189 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -4.025 -9.698 2.296 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -2.299 -9.862 1.899 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -1.952 -14.322 1.843 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -3.510 -13.995 2.638 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -3.069 -13.121 1.153 1.00 0.00 H new ATOM 139 N ARG A 10 -1.631 -11.515 6.572 1.00 0.00 N ATOM 140 CA ARG A 10 -1.166 -12.465 7.573 1.00 0.00 C ATOM 141 C ARG A 10 -2.174 -12.843 8.629 1.00 0.00 C ATOM 142 O ARG A 10 -1.856 -13.778 9.353 1.00 0.00 O ATOM 143 CB ARG A 10 0.101 -11.885 8.222 1.00 0.00 C ATOM 144 CG ARG A 10 -0.170 -10.716 9.186 1.00 0.00 C ATOM 145 CD ARG A 10 -0.361 -11.190 10.634 1.00 0.00 C ATOM 146 NE ARG A 10 0.945 -11.350 11.307 1.00 0.00 N ATOM 147 CZ ARG A 10 1.228 -12.111 12.349 1.00 0.00 C ATOM 148 NH1 ARG A 10 0.351 -12.918 12.882 1.00 0.00 N ATOM 149 NH2 ARG A 10 2.421 -12.067 12.877 1.00 0.00 N ATOM 0 H ARG A 10 -1.070 -10.663 6.583 1.00 0.00 H new ATOM 0 HA ARG A 10 -0.970 -13.401 7.050 1.00 0.00 H new ATOM 0 HB2 ARG A 10 0.615 -12.678 8.764 1.00 0.00 H new ATOM 0 HB3 ARG A 10 0.777 -11.546 7.437 1.00 0.00 H new ATOM 0 HG2 ARG A 10 0.661 -10.012 9.143 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -1.061 -10.178 8.861 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -0.972 -10.471 11.180 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -0.899 -12.138 10.644 1.00 0.00 H new ATOM 0 HE ARG A 10 1.719 -10.809 10.921 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -0.590 -12.976 12.494 1.00 0.00 H new ATOM 0 HH12 ARG A 10 0.607 -13.490 13.687 1.00 0.00 H new ATOM 0 HH21 ARG A 10 3.130 -11.447 12.485 1.00 0.00 H new ATOM 0 HH22 ARG A 10 2.644 -12.653 13.682 1.00 0.00 H new ATOM 163 N GLN A 11 -3.279 -12.090 8.747 1.00 0.00 N ATOM 164 CA GLN A 11 -4.293 -12.052 9.817 1.00 0.00 C ATOM 165 C GLN A 11 -4.090 -13.112 10.906 1.00 0.00 C ATOM 166 O GLN A 11 -3.772 -12.782 12.047 1.00 0.00 O ATOM 167 CB GLN A 11 -5.699 -12.112 9.190 1.00 0.00 C ATOM 168 CG GLN A 11 -6.793 -11.899 10.250 1.00 0.00 C ATOM 169 CD GLN A 11 -8.194 -11.824 9.656 1.00 0.00 C ATOM 170 OE1 GLN A 11 -8.548 -12.490 8.701 1.00 0.00 O ATOM 171 NE2 GLN A 11 -9.055 -11.008 10.214 1.00 0.00 N ATOM 0 H GLN A 11 -3.511 -11.418 8.015 1.00 0.00 H new ATOM 0 HA GLN A 11 -4.177 -11.106 10.346 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -5.787 -11.350 8.415 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -5.842 -13.078 8.705 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -6.754 -12.714 10.972 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -6.587 -10.979 10.797 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -8.776 -10.442 11.015 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -10.004 -10.939 9.847 1.00 0.00 H new ATOM 180 N GLY A 12 -4.178 -14.379 10.510 1.00 0.00 N ATOM 181 CA GLY A 12 -3.756 -15.513 11.312 1.00 0.00 C ATOM 182 C GLY A 12 -4.458 -16.793 10.840 1.00 0.00 C ATOM 183 O GLY A 12 -5.250 -17.355 11.598 1.00 0.00 O ATOM 0 H GLY A 12 -4.554 -14.647 9.601 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -2.675 -15.636 11.240 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -3.987 -15.330 12.362 1.00 0.00 H new ATOM 187 N PRO A 13 -4.223 -17.229 9.586 1.00 0.00 N ATOM 188 CA PRO A 13 -4.953 -18.283 8.863 1.00 0.00 C ATOM 189 C PRO A 13 -4.725 -19.727 9.369 1.00 0.00 C ATOM 190 O PRO A 13 -4.694 -20.669 8.583 1.00 0.00 O ATOM 191 CB PRO A 13 -4.542 -18.082 7.398 1.00 0.00 C ATOM 192 CG PRO A 13 -3.105 -17.583 7.518 1.00 0.00 C ATOM 193 CD PRO A 13 -3.170 -16.692 8.736 1.00 0.00 C ATOM 0 HA PRO A 13 -6.026 -18.181 9.024 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -4.602 -19.010 6.830 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -5.181 -17.357 6.894 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -2.400 -18.404 7.652 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -2.790 -17.035 6.630 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -2.215 -16.683 9.261 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -3.388 -15.662 8.452 1.00 0.00 H new ATOM 201 N LYS A 14 -4.587 -19.911 10.684 1.00 0.00 N ATOM 202 CA LYS A 14 -4.448 -21.186 11.433 1.00 0.00 C ATOM 203 C LYS A 14 -5.311 -22.380 10.982 1.00 0.00 C ATOM 204 O LYS A 14 -4.968 -23.511 11.308 1.00 0.00 O ATOM 205 CB LYS A 14 -4.841 -20.932 12.898 1.00 0.00 C ATOM 206 CG LYS A 14 -3.986 -19.914 13.665 1.00 0.00 C ATOM 207 CD LYS A 14 -4.569 -19.617 15.057 1.00 0.00 C ATOM 208 CE LYS A 14 -5.913 -18.861 15.013 1.00 0.00 C ATOM 209 NZ LYS A 14 -7.082 -19.711 15.359 1.00 0.00 N ATOM 0 H LYS A 14 -4.567 -19.111 11.316 1.00 0.00 H new ATOM 0 HA LYS A 14 -3.411 -21.470 11.256 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -5.877 -20.594 12.921 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -4.803 -21.882 13.432 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -2.971 -20.297 13.770 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -3.921 -18.989 13.093 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -4.707 -20.556 15.592 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -3.849 -19.029 15.626 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -5.870 -18.018 15.703 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -6.056 -18.448 14.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -7.839 -19.117 15.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -7.428 -20.190 14.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -6.798 -20.422 16.063 1.00 0.00 H new ATOM 223 N GLU A 15 -6.445 -22.118 10.326 1.00 0.00 N ATOM 224 CA GLU A 15 -7.552 -23.057 10.078 1.00 0.00 C ATOM 225 C GLU A 15 -8.191 -23.069 8.664 1.00 0.00 C ATOM 226 O GLU A 15 -8.557 -24.166 8.228 1.00 0.00 O ATOM 227 CB GLU A 15 -8.666 -22.711 11.080 1.00 0.00 C ATOM 228 CG GLU A 15 -8.319 -23.011 12.543 1.00 0.00 C ATOM 229 CD GLU A 15 -9.245 -22.206 13.450 1.00 0.00 C ATOM 230 OE1 GLU A 15 -10.425 -22.613 13.554 1.00 0.00 O ATOM 231 OE2 GLU A 15 -8.771 -21.181 13.998 1.00 0.00 O ATOM 0 H GLU A 15 -6.629 -21.196 9.931 1.00 0.00 H new ATOM 0 HA GLU A 15 -7.107 -24.046 10.184 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -8.906 -21.652 10.986 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -9.565 -23.266 10.811 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -8.428 -24.077 12.745 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -7.279 -22.754 12.743 1.00 0.00 H new ATOM 238 N PRO A 16 -8.386 -21.948 7.924 1.00 0.00 N ATOM 239 CA PRO A 16 -9.018 -21.944 6.587 1.00 0.00 C ATOM 240 C PRO A 16 -8.069 -22.445 5.474 1.00 0.00 C ATOM 241 O PRO A 16 -7.867 -21.801 4.446 1.00 0.00 O ATOM 242 CB PRO A 16 -9.511 -20.506 6.381 1.00 0.00 C ATOM 243 CG PRO A 16 -8.481 -19.681 7.140 1.00 0.00 C ATOM 244 CD PRO A 16 -8.185 -20.564 8.349 1.00 0.00 C ATOM 0 HA PRO A 16 -9.848 -22.648 6.529 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -9.545 -20.238 5.325 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -10.516 -20.363 6.778 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -7.588 -19.496 6.543 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -8.875 -18.708 7.434 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -7.164 -20.412 8.697 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -8.846 -20.315 9.180 1.00 0.00 H new ATOM 252 N PHE A 17 -7.442 -23.608 5.703 1.00 0.00 N ATOM 253 CA PHE A 17 -6.331 -24.155 4.911 1.00 0.00 C ATOM 254 C PHE A 17 -6.506 -23.996 3.398 1.00 0.00 C ATOM 255 O PHE A 17 -5.741 -23.277 2.783 1.00 0.00 O ATOM 256 CB PHE A 17 -6.074 -25.630 5.286 1.00 0.00 C ATOM 257 CG PHE A 17 -4.767 -25.916 6.009 1.00 0.00 C ATOM 258 CD1 PHE A 17 -4.330 -25.090 7.065 1.00 0.00 C ATOM 259 CD2 PHE A 17 -3.984 -27.029 5.628 1.00 0.00 C ATOM 260 CE1 PHE A 17 -3.099 -25.347 7.694 1.00 0.00 C ATOM 261 CE2 PHE A 17 -2.760 -27.292 6.268 1.00 0.00 C ATOM 262 CZ PHE A 17 -2.313 -26.433 7.284 1.00 0.00 C ATOM 0 H PHE A 17 -7.706 -24.218 6.477 1.00 0.00 H new ATOM 0 HA PHE A 17 -5.456 -23.558 5.168 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -6.896 -25.973 5.914 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -6.100 -26.226 4.374 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -4.940 -24.261 7.390 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -4.328 -27.682 4.840 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -2.758 -24.707 8.494 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -2.168 -28.148 5.980 1.00 0.00 H new ATOM 0 HZ PHE A 17 -1.357 -26.610 7.753 1.00 0.00 H new ATOM 272 N ARG A 18 -7.523 -24.624 2.802 1.00 0.00 N ATOM 273 CA ARG A 18 -7.827 -24.539 1.357 1.00 0.00 C ATOM 274 C ARG A 18 -7.989 -23.075 0.888 1.00 0.00 C ATOM 275 O ARG A 18 -7.269 -22.561 0.022 1.00 0.00 O ATOM 276 CB ARG A 18 -9.047 -25.428 0.992 1.00 0.00 C ATOM 277 CG ARG A 18 -9.852 -26.115 2.128 1.00 0.00 C ATOM 278 CD ARG A 18 -10.729 -25.102 2.859 1.00 0.00 C ATOM 279 NE ARG A 18 -11.395 -25.585 4.094 1.00 0.00 N ATOM 280 CZ ARG A 18 -12.510 -25.045 4.581 1.00 0.00 C ATOM 281 NH1 ARG A 18 -13.252 -24.216 3.908 1.00 0.00 N ATOM 282 NH2 ARG A 18 -12.918 -25.337 5.787 1.00 0.00 N ATOM 0 H ARG A 18 -8.175 -25.219 3.313 1.00 0.00 H new ATOM 0 HA ARG A 18 -6.972 -24.935 0.809 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -9.743 -24.812 0.423 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -8.693 -26.211 0.321 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -10.474 -26.908 1.711 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -9.166 -26.585 2.833 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -10.115 -24.239 3.116 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -11.497 -24.753 2.169 1.00 0.00 H new ATOM 0 HE ARG A 18 -10.978 -26.370 4.595 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -12.989 -23.951 2.959 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -14.097 -23.831 4.329 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -12.381 -25.984 6.364 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -13.774 -24.918 6.151 1.00 0.00 H new ATOM 296 N ASP A 19 -8.904 -22.415 1.591 1.00 0.00 N ATOM 297 CA ASP A 19 -9.382 -21.038 1.379 1.00 0.00 C ATOM 298 C ASP A 19 -8.285 -19.967 1.514 1.00 0.00 C ATOM 299 O ASP A 19 -8.458 -18.852 1.023 1.00 0.00 O ATOM 300 CB ASP A 19 -10.541 -20.685 2.337 1.00 0.00 C ATOM 301 CG ASP A 19 -11.334 -21.888 2.849 1.00 0.00 C ATOM 302 OD1 ASP A 19 -12.141 -22.471 2.093 1.00 0.00 O ATOM 303 OD2 ASP A 19 -11.062 -22.350 3.981 1.00 0.00 O ATOM 0 H ASP A 19 -9.370 -22.855 2.385 1.00 0.00 H new ATOM 0 HA ASP A 19 -9.730 -21.025 0.346 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -10.136 -20.143 3.192 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -11.224 -20.008 1.825 1.00 0.00 H new ATOM 308 N TYR A 20 -7.161 -20.306 2.154 1.00 0.00 N ATOM 309 CA TYR A 20 -5.990 -19.445 2.326 1.00 0.00 C ATOM 310 C TYR A 20 -4.719 -19.975 1.647 1.00 0.00 C ATOM 311 O TYR A 20 -3.845 -19.168 1.342 1.00 0.00 O ATOM 312 CB TYR A 20 -5.746 -19.160 3.816 1.00 0.00 C ATOM 313 CG TYR A 20 -5.722 -17.678 4.133 1.00 0.00 C ATOM 314 CD1 TYR A 20 -6.941 -16.996 4.303 1.00 0.00 C ATOM 315 CD2 TYR A 20 -4.501 -16.984 4.256 1.00 0.00 C ATOM 316 CE1 TYR A 20 -6.943 -15.623 4.613 1.00 0.00 C ATOM 317 CE2 TYR A 20 -4.501 -15.613 4.590 1.00 0.00 C ATOM 318 CZ TYR A 20 -5.727 -14.926 4.755 1.00 0.00 C ATOM 319 OH TYR A 20 -5.761 -13.604 5.059 1.00 0.00 O ATOM 0 H TYR A 20 -7.039 -21.224 2.582 1.00 0.00 H new ATOM 0 HA TYR A 20 -6.223 -18.511 1.814 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -6.526 -19.641 4.406 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -4.798 -19.607 4.117 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -7.876 -17.526 4.196 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -3.567 -17.501 4.095 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -7.880 -15.102 4.742 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -3.566 -15.088 4.720 1.00 0.00 H new ATOM 0 HH TYR A 20 -4.957 -13.364 5.565 1.00 0.00 H new ATOM 329 N VAL A 21 -4.594 -21.283 1.378 1.00 0.00 N ATOM 330 CA VAL A 21 -3.414 -21.880 0.731 1.00 0.00 C ATOM 331 C VAL A 21 -3.277 -21.429 -0.708 1.00 0.00 C ATOM 332 O VAL A 21 -2.142 -21.201 -1.125 1.00 0.00 O ATOM 333 CB VAL A 21 -3.320 -23.412 0.875 1.00 0.00 C ATOM 334 CG1 VAL A 21 -4.280 -24.256 0.040 1.00 0.00 C ATOM 335 CG2 VAL A 21 -1.909 -23.905 0.568 1.00 0.00 C ATOM 0 H VAL A 21 -5.318 -21.965 1.606 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.555 -21.496 1.282 1.00 0.00 H new ATOM 0 HB VAL A 21 -3.611 -23.558 1.915 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.104 -25.313 0.240 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.308 -24.004 0.301 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.115 -24.055 -1.018 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -1.871 -24.989 0.677 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -1.643 -23.633 -0.454 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.204 -23.445 1.261 1.00 0.00 H new ATOM 345 N ASP A 22 -4.393 -21.207 -1.421 1.00 0.00 N ATOM 346 CA ASP A 22 -4.320 -20.479 -2.712 1.00 0.00 C ATOM 347 C ASP A 22 -3.579 -19.155 -2.496 1.00 0.00 C ATOM 348 O ASP A 22 -2.427 -18.914 -2.876 1.00 0.00 O ATOM 349 CB ASP A 22 -5.761 -20.206 -3.190 1.00 0.00 C ATOM 350 CG ASP A 22 -5.991 -19.087 -4.232 1.00 0.00 C ATOM 351 OD1 ASP A 22 -5.035 -18.432 -4.691 1.00 0.00 O ATOM 352 OD2 ASP A 22 -7.174 -18.735 -4.435 1.00 0.00 O ATOM 0 H ASP A 22 -5.328 -21.506 -1.145 1.00 0.00 H new ATOM 0 HA ASP A 22 -3.787 -21.066 -3.460 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -6.154 -21.133 -3.607 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -6.363 -19.971 -2.312 1.00 0.00 H new ATOM 357 N ARG A 23 -4.315 -18.332 -1.756 1.00 0.00 N ATOM 358 CA ARG A 23 -4.069 -16.913 -1.482 1.00 0.00 C ATOM 359 C ARG A 23 -2.661 -16.661 -0.936 1.00 0.00 C ATOM 360 O ARG A 23 -2.073 -15.616 -1.218 1.00 0.00 O ATOM 361 CB ARG A 23 -5.158 -16.335 -0.545 1.00 0.00 C ATOM 362 CG ARG A 23 -6.503 -17.067 -0.518 1.00 0.00 C ATOM 363 CD ARG A 23 -7.209 -17.129 -1.867 1.00 0.00 C ATOM 364 NE ARG A 23 -8.365 -16.238 -1.914 1.00 0.00 N ATOM 365 CZ ARG A 23 -9.191 -16.162 -2.941 1.00 0.00 C ATOM 366 NH1 ARG A 23 -8.936 -16.738 -4.077 1.00 0.00 N ATOM 367 NH2 ARG A 23 -10.300 -15.482 -2.854 1.00 0.00 N ATOM 0 H ARG A 23 -5.164 -18.661 -1.296 1.00 0.00 H new ATOM 0 HA ARG A 23 -4.129 -16.385 -2.434 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -4.760 -16.318 0.469 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -5.340 -15.300 -0.833 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -6.343 -18.083 -0.157 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -7.158 -16.573 0.200 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -6.509 -16.858 -2.657 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -7.530 -18.152 -2.063 1.00 0.00 H new ATOM 0 HE ARG A 23 -8.545 -15.640 -1.107 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -8.074 -17.270 -4.197 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -9.598 -16.658 -4.849 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -10.537 -15.002 -1.986 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -10.931 -15.430 -3.654 1.00 0.00 H new ATOM 381 N PHE A 24 -2.130 -17.622 -0.189 1.00 0.00 N ATOM 382 CA PHE A 24 -0.782 -17.636 0.360 1.00 0.00 C ATOM 383 C PHE A 24 0.264 -17.898 -0.737 1.00 0.00 C ATOM 384 O PHE A 24 1.040 -16.989 -1.064 1.00 0.00 O ATOM 385 CB PHE A 24 -0.715 -18.674 1.500 1.00 0.00 C ATOM 386 CG PHE A 24 0.641 -18.722 2.167 1.00 0.00 C ATOM 387 CD1 PHE A 24 1.707 -19.354 1.513 1.00 0.00 C ATOM 388 CD2 PHE A 24 0.869 -18.111 3.416 1.00 0.00 C ATOM 389 CE1 PHE A 24 3.007 -19.186 1.983 1.00 0.00 C ATOM 390 CE2 PHE A 24 2.173 -18.053 3.940 1.00 0.00 C ATOM 391 CZ PHE A 24 3.265 -18.500 3.173 1.00 0.00 C ATOM 0 H PHE A 24 -2.658 -18.457 0.063 1.00 0.00 H new ATOM 0 HA PHE A 24 -0.544 -16.656 0.773 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -1.474 -18.438 2.246 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -0.955 -19.660 1.102 1.00 0.00 H new ATOM 0 HD1 PHE A 24 1.521 -19.970 0.646 1.00 0.00 H new ATOM 0 HD2 PHE A 24 0.044 -17.688 3.970 1.00 0.00 H new ATOM 0 HE1 PHE A 24 3.832 -19.594 1.417 1.00 0.00 H new ATOM 0 HE2 PHE A 24 2.337 -17.664 4.934 1.00 0.00 H new ATOM 0 HZ PHE A 24 4.279 -18.317 3.497 1.00 0.00 H new ATOM 401 N TYR A 25 0.288 -19.104 -1.334 1.00 0.00 N ATOM 402 CA TYR A 25 1.361 -19.428 -2.279 1.00 0.00 C ATOM 403 C TYR A 25 1.274 -18.530 -3.529 1.00 0.00 C ATOM 404 O TYR A 25 2.327 -18.119 -3.996 1.00 0.00 O ATOM 405 CB TYR A 25 1.436 -20.926 -2.616 1.00 0.00 C ATOM 406 CG TYR A 25 1.992 -21.890 -1.558 1.00 0.00 C ATOM 407 CD1 TYR A 25 3.365 -22.239 -1.497 1.00 0.00 C ATOM 408 CD2 TYR A 25 1.094 -22.591 -0.739 1.00 0.00 C ATOM 409 CE1 TYR A 25 3.788 -23.386 -0.775 1.00 0.00 C ATOM 410 CE2 TYR A 25 1.512 -23.714 -0.009 1.00 0.00 C ATOM 411 CZ TYR A 25 2.841 -24.167 -0.074 1.00 0.00 C ATOM 412 OH TYR A 25 3.133 -25.361 0.522 1.00 0.00 O ATOM 0 H TYR A 25 -0.399 -19.843 -1.184 1.00 0.00 H new ATOM 0 HA TYR A 25 2.308 -19.209 -1.785 1.00 0.00 H new ATOM 0 HB2 TYR A 25 0.430 -21.259 -2.871 1.00 0.00 H new ATOM 0 HB3 TYR A 25 2.044 -21.033 -3.514 1.00 0.00 H new ATOM 0 HD1 TYR A 25 4.096 -21.627 -2.004 1.00 0.00 H new ATOM 0 HD2 TYR A 25 0.068 -22.262 -0.670 1.00 0.00 H new ATOM 0 HE1 TYR A 25 4.832 -23.661 -0.761 1.00 0.00 H new ATOM 0 HE2 TYR A 25 0.801 -24.239 0.613 1.00 0.00 H new ATOM 0 HH TYR A 25 2.604 -25.456 1.341 1.00 0.00 H new ATOM 422 N LYS A 26 0.074 -18.089 -3.960 1.00 0.00 N ATOM 423 CA LYS A 26 -0.206 -17.062 -4.996 1.00 0.00 C ATOM 424 C LYS A 26 0.762 -15.874 -4.980 1.00 0.00 C ATOM 425 O LYS A 26 1.156 -15.372 -6.040 1.00 0.00 O ATOM 426 CB LYS A 26 -1.691 -16.637 -4.841 1.00 0.00 C ATOM 427 CG LYS A 26 -2.172 -15.372 -5.586 1.00 0.00 C ATOM 428 CD LYS A 26 -1.960 -14.058 -4.806 1.00 0.00 C ATOM 429 CE LYS A 26 -2.906 -13.895 -3.607 1.00 0.00 C ATOM 430 NZ LYS A 26 -2.309 -13.076 -2.518 1.00 0.00 N ATOM 0 H LYS A 26 -0.789 -18.465 -3.568 1.00 0.00 H new ATOM 0 HA LYS A 26 -0.040 -17.498 -5.981 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -2.312 -17.471 -5.168 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -1.886 -16.492 -3.779 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -1.647 -15.304 -6.539 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -3.233 -15.479 -5.813 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -0.929 -14.017 -4.453 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -2.098 -13.216 -5.484 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -3.833 -13.430 -3.941 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -3.166 -14.879 -3.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -2.891 -13.162 -1.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -1.346 -13.413 -2.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -2.273 -12.079 -2.813 1.00 0.00 H new ATOM 444 N THR A 27 1.162 -15.427 -3.788 1.00 0.00 N ATOM 445 CA THR A 27 2.047 -14.273 -3.559 1.00 0.00 C ATOM 446 C THR A 27 3.420 -14.698 -3.074 1.00 0.00 C ATOM 447 O THR A 27 4.415 -14.311 -3.680 1.00 0.00 O ATOM 448 CB THR A 27 1.442 -13.281 -2.541 1.00 0.00 C ATOM 449 OG1 THR A 27 0.356 -13.828 -1.809 1.00 0.00 O ATOM 450 CG2 THR A 27 0.913 -12.046 -3.257 1.00 0.00 C ATOM 0 H THR A 27 0.869 -15.873 -2.919 1.00 0.00 H new ATOM 0 HA THR A 27 2.150 -13.778 -4.525 1.00 0.00 H new ATOM 0 HB THR A 27 2.251 -13.038 -1.852 1.00 0.00 H new ATOM 0 HG1 THR A 27 0.118 -13.223 -1.076 1.00 0.00 H new ATOM 0 HG21 THR A 27 0.490 -11.356 -2.527 1.00 0.00 H new ATOM 0 HG22 THR A 27 1.729 -11.556 -3.789 1.00 0.00 H new ATOM 0 HG23 THR A 27 0.141 -12.340 -3.968 1.00 0.00 H new ATOM 458 N LEU A 28 3.484 -15.533 -2.034 1.00 0.00 N ATOM 459 CA LEU A 28 4.730 -16.050 -1.456 1.00 0.00 C ATOM 460 C LEU A 28 5.688 -16.660 -2.496 1.00 0.00 C ATOM 461 O LEU A 28 6.895 -16.435 -2.433 1.00 0.00 O ATOM 462 CB LEU A 28 4.320 -17.023 -0.356 1.00 0.00 C ATOM 463 CG LEU A 28 5.463 -17.754 0.356 1.00 0.00 C ATOM 464 CD1 LEU A 28 5.729 -19.074 -0.375 1.00 0.00 C ATOM 465 CD2 LEU A 28 6.707 -16.931 0.667 1.00 0.00 C ATOM 0 H LEU A 28 2.651 -15.878 -1.558 1.00 0.00 H new ATOM 0 HA LEU A 28 5.323 -15.235 -1.040 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.745 -16.475 0.391 1.00 0.00 H new ATOM 0 HB3 LEU A 28 3.652 -17.768 -0.788 1.00 0.00 H new ATOM 0 HG LEU A 28 5.127 -17.968 1.371 1.00 0.00 H new ATOM 0 HD11 LEU A 28 6.541 -19.607 0.120 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.828 -19.688 -0.357 1.00 0.00 H new ATOM 0 HD13 LEU A 28 6.007 -18.868 -1.409 1.00 0.00 H new ATOM 0 HD21 LEU A 28 7.442 -17.559 1.170 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.131 -16.548 -0.261 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.439 -16.096 1.315 1.00 0.00 H new ATOM 477 N ARG A 29 5.159 -17.346 -3.517 1.00 0.00 N ATOM 478 CA ARG A 29 5.943 -17.874 -4.661 1.00 0.00 C ATOM 479 C ARG A 29 6.824 -16.855 -5.405 1.00 0.00 C ATOM 480 O ARG A 29 7.550 -17.257 -6.307 1.00 0.00 O ATOM 481 CB ARG A 29 5.025 -18.623 -5.643 1.00 0.00 C ATOM 482 CG ARG A 29 3.972 -17.710 -6.290 1.00 0.00 C ATOM 483 CD ARG A 29 4.356 -16.965 -7.570 1.00 0.00 C ATOM 484 NE ARG A 29 3.492 -15.776 -7.679 1.00 0.00 N ATOM 485 CZ ARG A 29 3.841 -14.544 -7.980 1.00 0.00 C ATOM 486 NH1 ARG A 29 5.009 -14.239 -8.472 1.00 0.00 N ATOM 487 NH2 ARG A 29 2.976 -13.596 -7.758 1.00 0.00 N ATOM 0 H ARG A 29 4.163 -17.557 -3.581 1.00 0.00 H new ATOM 0 HA ARG A 29 6.657 -18.561 -4.207 1.00 0.00 H new ATOM 0 HB2 ARG A 29 5.632 -19.080 -6.424 1.00 0.00 H new ATOM 0 HB3 ARG A 29 4.522 -19.434 -5.116 1.00 0.00 H new ATOM 0 HG2 ARG A 29 3.093 -18.316 -6.508 1.00 0.00 H new ATOM 0 HG3 ARG A 29 3.672 -16.969 -5.549 1.00 0.00 H new ATOM 0 HD2 ARG A 29 5.406 -16.672 -7.541 1.00 0.00 H new ATOM 0 HD3 ARG A 29 4.229 -17.610 -8.439 1.00 0.00 H new ATOM 0 HE ARG A 29 2.500 -15.927 -7.499 1.00 0.00 H new ATOM 0 HH11 ARG A 29 5.699 -14.971 -8.639 1.00 0.00 H new ATOM 0 HH12 ARG A 29 5.233 -13.268 -8.690 1.00 0.00 H new ATOM 0 HH21 ARG A 29 2.063 -13.821 -7.363 1.00 0.00 H new ATOM 0 HH22 ARG A 29 3.212 -12.629 -7.979 1.00 0.00 H new ATOM 501 N ALA A 30 6.724 -15.556 -5.118 1.00 0.00 N ATOM 502 CA ALA A 30 7.675 -14.548 -5.590 1.00 0.00 C ATOM 503 C ALA A 30 9.079 -14.677 -4.950 1.00 0.00 C ATOM 504 O ALA A 30 10.034 -14.152 -5.509 1.00 0.00 O ATOM 505 CB ALA A 30 7.072 -13.164 -5.306 1.00 0.00 C ATOM 0 H ALA A 30 5.973 -15.170 -4.546 1.00 0.00 H new ATOM 0 HA ALA A 30 7.832 -14.698 -6.658 1.00 0.00 H new ATOM 0 HB1 ALA A 30 7.760 -12.390 -5.648 1.00 0.00 H new ATOM 0 HB2 ALA A 30 6.123 -13.065 -5.834 1.00 0.00 H new ATOM 0 HB3 ALA A 30 6.904 -13.053 -4.235 1.00 0.00 H new ATOM 511 N GLU A 31 9.192 -15.361 -3.804 1.00 0.00 N ATOM 512 CA GLU A 31 10.361 -15.428 -2.936 1.00 0.00 C ATOM 513 C GLU A 31 10.746 -16.893 -2.636 1.00 0.00 C ATOM 514 O GLU A 31 11.708 -17.405 -3.210 1.00 0.00 O ATOM 515 CB GLU A 31 9.951 -14.631 -1.681 1.00 0.00 C ATOM 516 CG GLU A 31 11.110 -13.902 -1.027 1.00 0.00 C ATOM 517 CD GLU A 31 12.051 -14.789 -0.195 1.00 0.00 C ATOM 518 OE1 GLU A 31 11.594 -15.862 0.262 1.00 0.00 O ATOM 519 OE2 GLU A 31 13.220 -14.387 -0.018 1.00 0.00 O ATOM 0 H GLU A 31 8.417 -15.915 -3.441 1.00 0.00 H new ATOM 0 HA GLU A 31 11.258 -15.005 -3.388 1.00 0.00 H new ATOM 0 HB2 GLU A 31 9.183 -13.907 -1.954 1.00 0.00 H new ATOM 0 HB3 GLU A 31 9.504 -15.312 -0.957 1.00 0.00 H new ATOM 0 HG2 GLU A 31 11.694 -13.408 -1.804 1.00 0.00 H new ATOM 0 HG3 GLU A 31 10.710 -13.119 -0.383 1.00 0.00 H new ATOM 526 N GLN A 32 9.919 -17.634 -1.881 1.00 0.00 N ATOM 527 CA GLN A 32 10.071 -19.080 -1.600 1.00 0.00 C ATOM 528 C GLN A 32 9.583 -19.926 -2.798 1.00 0.00 C ATOM 529 O GLN A 32 8.766 -20.844 -2.684 1.00 0.00 O ATOM 530 CB GLN A 32 9.308 -19.466 -0.325 1.00 0.00 C ATOM 531 CG GLN A 32 9.657 -18.677 0.938 1.00 0.00 C ATOM 532 CD GLN A 32 10.989 -19.117 1.533 1.00 0.00 C ATOM 533 OE1 GLN A 32 11.112 -20.214 2.064 1.00 0.00 O ATOM 534 NE2 GLN A 32 12.012 -18.297 1.487 1.00 0.00 N ATOM 0 H GLN A 32 9.096 -17.233 -1.431 1.00 0.00 H new ATOM 0 HA GLN A 32 11.130 -19.286 -1.445 1.00 0.00 H new ATOM 0 HB2 GLN A 32 8.241 -19.351 -0.517 1.00 0.00 H new ATOM 0 HB3 GLN A 32 9.484 -20.523 -0.128 1.00 0.00 H new ATOM 0 HG2 GLN A 32 9.698 -17.614 0.702 1.00 0.00 H new ATOM 0 HG3 GLN A 32 8.868 -18.809 1.678 1.00 0.00 H new ATOM 0 HE21 GLN A 32 11.913 -17.383 1.046 1.00 0.00 H new ATOM 0 HE22 GLN A 32 12.906 -18.574 1.893 1.00 0.00 H new ATOM 543 N ALA A 33 10.052 -19.546 -3.983 1.00 0.00 N ATOM 544 CA ALA A 33 9.602 -19.981 -5.308 1.00 0.00 C ATOM 545 C ALA A 33 9.631 -21.499 -5.592 1.00 0.00 C ATOM 546 O ALA A 33 9.001 -21.939 -6.552 1.00 0.00 O ATOM 547 CB ALA A 33 10.416 -19.199 -6.346 1.00 0.00 C ATOM 0 H ALA A 33 10.816 -18.874 -4.050 1.00 0.00 H new ATOM 0 HA ALA A 33 8.536 -19.762 -5.362 1.00 0.00 H new ATOM 0 HB1 ALA A 33 10.109 -19.496 -7.349 1.00 0.00 H new ATOM 0 HB2 ALA A 33 10.242 -18.131 -6.215 1.00 0.00 H new ATOM 0 HB3 ALA A 33 11.476 -19.413 -6.213 1.00 0.00 H new ATOM 553 N SER A 34 10.308 -22.311 -4.771 1.00 0.00 N ATOM 554 CA SER A 34 10.429 -23.774 -4.930 1.00 0.00 C ATOM 555 C SER A 34 9.104 -24.544 -4.941 1.00 0.00 C ATOM 556 O SER A 34 9.077 -25.669 -5.433 1.00 0.00 O ATOM 557 CB SER A 34 11.260 -24.360 -3.779 1.00 0.00 C ATOM 558 OG SER A 34 12.449 -23.622 -3.592 1.00 0.00 O ATOM 0 H SER A 34 10.804 -21.962 -3.951 1.00 0.00 H new ATOM 0 HA SER A 34 10.895 -23.897 -5.908 1.00 0.00 H new ATOM 0 HB2 SER A 34 10.673 -24.352 -2.860 1.00 0.00 H new ATOM 0 HB3 SER A 34 11.503 -25.401 -3.993 1.00 0.00 H new ATOM 0 HG SER A 34 12.963 -24.011 -2.853 1.00 0.00 H new ATOM 564 N GLN A 35 8.046 -23.959 -4.355 1.00 0.00 N ATOM 565 CA GLN A 35 6.742 -24.561 -4.052 1.00 0.00 C ATOM 566 C GLN A 35 6.870 -26.045 -3.638 1.00 0.00 C ATOM 567 O GLN A 35 6.310 -26.957 -4.247 1.00 0.00 O ATOM 568 CB GLN A 35 5.821 -24.262 -5.234 1.00 0.00 C ATOM 569 CG GLN A 35 4.364 -24.690 -4.995 1.00 0.00 C ATOM 570 CD GLN A 35 3.802 -25.522 -6.136 1.00 0.00 C ATOM 571 OE1 GLN A 35 2.886 -25.111 -6.835 1.00 0.00 O ATOM 572 NE2 GLN A 35 4.355 -26.697 -6.369 1.00 0.00 N ATOM 0 H GLN A 35 8.085 -22.983 -4.061 1.00 0.00 H new ATOM 0 HA GLN A 35 6.284 -24.121 -3.166 1.00 0.00 H new ATOM 0 HB2 GLN A 35 5.848 -23.193 -5.445 1.00 0.00 H new ATOM 0 HB3 GLN A 35 6.201 -24.771 -6.119 1.00 0.00 H new ATOM 0 HG2 GLN A 35 4.305 -25.263 -4.070 1.00 0.00 H new ATOM 0 HG3 GLN A 35 3.746 -23.802 -4.860 1.00 0.00 H new ATOM 0 HE21 GLN A 35 5.118 -27.028 -5.778 1.00 0.00 H new ATOM 0 HE22 GLN A 35 4.019 -27.275 -7.140 1.00 0.00 H new ATOM 581 N GLU A 36 7.652 -26.258 -2.581 1.00 0.00 N ATOM 582 CA GLU A 36 8.170 -27.552 -2.147 1.00 0.00 C ATOM 583 C GLU A 36 7.774 -27.884 -0.700 1.00 0.00 C ATOM 584 O GLU A 36 7.730 -27.001 0.150 1.00 0.00 O ATOM 585 CB GLU A 36 9.694 -27.433 -2.245 1.00 0.00 C ATOM 586 CG GLU A 36 10.427 -28.766 -2.115 1.00 0.00 C ATOM 587 CD GLU A 36 11.889 -28.537 -1.731 1.00 0.00 C ATOM 588 OE1 GLU A 36 12.488 -27.498 -2.106 1.00 0.00 O ATOM 589 OE2 GLU A 36 12.427 -29.347 -0.941 1.00 0.00 O ATOM 0 H GLU A 36 7.956 -25.495 -1.976 1.00 0.00 H new ATOM 0 HA GLU A 36 7.762 -28.350 -2.767 1.00 0.00 H new ATOM 0 HB2 GLU A 36 9.953 -26.979 -3.202 1.00 0.00 H new ATOM 0 HB3 GLU A 36 10.047 -26.758 -1.466 1.00 0.00 H new ATOM 0 HG2 GLU A 36 9.939 -29.384 -1.361 1.00 0.00 H new ATOM 0 HG3 GLU A 36 10.373 -29.311 -3.058 1.00 0.00 H new ATOM 596 N VAL A 37 7.598 -29.176 -0.403 1.00 0.00 N ATOM 597 CA VAL A 37 7.218 -29.759 0.905 1.00 0.00 C ATOM 598 C VAL A 37 8.004 -29.276 2.126 1.00 0.00 C ATOM 599 O VAL A 37 7.505 -29.292 3.246 1.00 0.00 O ATOM 600 CB VAL A 37 7.335 -31.286 0.802 1.00 0.00 C ATOM 601 CG1 VAL A 37 8.773 -31.821 0.841 1.00 0.00 C ATOM 602 CG2 VAL A 37 6.500 -31.981 1.874 1.00 0.00 C ATOM 0 H VAL A 37 7.724 -29.898 -1.113 1.00 0.00 H new ATOM 0 HA VAL A 37 6.200 -29.415 1.088 1.00 0.00 H new ATOM 0 HB VAL A 37 6.945 -31.524 -0.188 1.00 0.00 H new ATOM 0 HG11 VAL A 37 8.759 -32.908 0.762 1.00 0.00 H new ATOM 0 HG12 VAL A 37 9.339 -31.404 0.008 1.00 0.00 H new ATOM 0 HG13 VAL A 37 9.244 -31.531 1.780 1.00 0.00 H new ATOM 0 HG21 VAL A 37 6.605 -33.061 1.773 1.00 0.00 H new ATOM 0 HG22 VAL A 37 6.846 -31.673 2.861 1.00 0.00 H new ATOM 0 HG23 VAL A 37 5.452 -31.705 1.754 1.00 0.00 H new ATOM 612 N LYS A 38 9.246 -28.844 1.926 1.00 0.00 N ATOM 613 CA LYS A 38 10.117 -28.152 2.869 1.00 0.00 C ATOM 614 C LYS A 38 9.518 -26.860 3.475 1.00 0.00 C ATOM 615 O LYS A 38 10.165 -26.193 4.279 1.00 0.00 O ATOM 616 CB LYS A 38 11.400 -27.921 2.053 1.00 0.00 C ATOM 617 CG LYS A 38 12.589 -27.618 2.947 1.00 0.00 C ATOM 618 CD LYS A 38 13.953 -27.719 2.246 1.00 0.00 C ATOM 619 CE LYS A 38 14.057 -26.816 1.006 1.00 0.00 C ATOM 620 NZ LYS A 38 14.338 -27.601 -0.218 1.00 0.00 N ATOM 0 H LYS A 38 9.706 -28.981 1.026 1.00 0.00 H new ATOM 0 HA LYS A 38 10.289 -28.738 3.771 1.00 0.00 H new ATOM 0 HB2 LYS A 38 11.613 -28.805 1.452 1.00 0.00 H new ATOM 0 HB3 LYS A 38 11.246 -27.094 1.360 1.00 0.00 H new ATOM 0 HG2 LYS A 38 12.476 -26.613 3.352 1.00 0.00 H new ATOM 0 HG3 LYS A 38 12.577 -28.306 3.792 1.00 0.00 H new ATOM 0 HD2 LYS A 38 14.739 -27.451 2.952 1.00 0.00 H new ATOM 0 HD3 LYS A 38 14.129 -28.754 1.951 1.00 0.00 H new ATOM 0 HE2 LYS A 38 13.126 -26.263 0.879 1.00 0.00 H new ATOM 0 HE3 LYS A 38 14.847 -26.080 1.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 13.965 -27.096 -1.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 15.365 -27.726 -0.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 13.882 -28.533 -0.145 1.00 0.00 H new ATOM 634 N ASN A 39 8.309 -26.470 3.076 1.00 0.00 N ATOM 635 CA ASN A 39 7.683 -25.186 3.372 1.00 0.00 C ATOM 636 C ASN A 39 7.541 -24.757 4.849 1.00 0.00 C ATOM 637 O ASN A 39 7.436 -23.561 5.092 1.00 0.00 O ATOM 638 CB ASN A 39 6.438 -25.031 2.502 1.00 0.00 C ATOM 639 CG ASN A 39 5.269 -25.952 2.670 1.00 0.00 C ATOM 640 OD1 ASN A 39 5.172 -26.988 2.039 1.00 0.00 O ATOM 641 ND2 ASN A 39 4.231 -25.414 3.245 1.00 0.00 N ATOM 0 H ASN A 39 7.711 -27.072 2.510 1.00 0.00 H new ATOM 0 HA ASN A 39 8.411 -24.424 3.093 1.00 0.00 H new ATOM 0 HB2 ASN A 39 6.070 -24.015 2.647 1.00 0.00 H new ATOM 0 HB3 ASN A 39 6.761 -25.108 1.464 1.00 0.00 H new ATOM 0 HD21 ASN A 39 3.318 -25.862 3.170 1.00 0.00 H new ATOM 0 HD22 ASN A 39 4.332 -24.545 3.770 1.00 0.00 H new ATOM 648 N ALA A 40 7.672 -25.657 5.827 1.00 0.00 N ATOM 649 CA ALA A 40 7.754 -25.307 7.253 1.00 0.00 C ATOM 650 C ALA A 40 8.931 -24.370 7.615 1.00 0.00 C ATOM 651 O ALA A 40 8.929 -23.760 8.676 1.00 0.00 O ATOM 652 CB ALA A 40 7.826 -26.601 8.073 1.00 0.00 C ATOM 0 H ALA A 40 7.725 -26.661 5.652 1.00 0.00 H new ATOM 0 HA ALA A 40 6.856 -24.738 7.493 1.00 0.00 H new ATOM 0 HB1 ALA A 40 7.887 -26.357 9.134 1.00 0.00 H new ATOM 0 HB2 ALA A 40 6.933 -27.198 7.889 1.00 0.00 H new ATOM 0 HB3 ALA A 40 8.709 -27.169 7.780 1.00 0.00 H new ATOM 658 N MET A 41 9.940 -24.230 6.743 1.00 0.00 N ATOM 659 CA MET A 41 11.051 -23.280 6.925 1.00 0.00 C ATOM 660 C MET A 41 10.652 -21.794 6.775 1.00 0.00 C ATOM 661 O MET A 41 11.469 -20.917 7.053 1.00 0.00 O ATOM 662 CB MET A 41 12.196 -23.640 5.968 1.00 0.00 C ATOM 663 CG MET A 41 12.735 -25.070 6.141 1.00 0.00 C ATOM 664 SD MET A 41 13.501 -25.484 7.737 1.00 0.00 S ATOM 665 CE MET A 41 12.077 -26.081 8.701 1.00 0.00 C ATOM 0 H MET A 41 10.010 -24.776 5.885 1.00 0.00 H new ATOM 0 HA MET A 41 11.378 -23.380 7.960 1.00 0.00 H new ATOM 0 HB2 MET A 41 11.850 -23.516 4.942 1.00 0.00 H new ATOM 0 HB3 MET A 41 13.014 -22.935 6.116 1.00 0.00 H new ATOM 0 HG2 MET A 41 11.911 -25.764 5.972 1.00 0.00 H new ATOM 0 HG3 MET A 41 13.470 -25.251 5.357 1.00 0.00 H new ATOM 0 HE1 MET A 41 12.390 -26.909 9.337 1.00 0.00 H new ATOM 0 HE2 MET A 41 11.693 -25.272 9.322 1.00 0.00 H new ATOM 0 HE3 MET A 41 11.295 -26.420 8.022 1.00 0.00 H new ATOM 675 N THR A 42 9.410 -21.505 6.369 1.00 0.00 N ATOM 676 CA THR A 42 8.786 -20.171 6.336 1.00 0.00 C ATOM 677 C THR A 42 7.392 -20.158 6.956 1.00 0.00 C ATOM 678 O THR A 42 6.848 -21.185 7.346 1.00 0.00 O ATOM 679 CB THR A 42 8.712 -19.606 4.901 1.00 0.00 C ATOM 680 OG1 THR A 42 8.671 -20.605 3.898 1.00 0.00 O ATOM 681 CG2 THR A 42 9.961 -18.767 4.685 1.00 0.00 C ATOM 0 H THR A 42 8.777 -22.232 6.036 1.00 0.00 H new ATOM 0 HA THR A 42 9.433 -19.533 6.938 1.00 0.00 H new ATOM 0 HB THR A 42 7.788 -19.035 4.814 1.00 0.00 H new ATOM 0 HG1 THR A 42 9.440 -20.499 3.299 1.00 0.00 H new ATOM 0 HG21 THR A 42 9.948 -18.348 3.679 1.00 0.00 H new ATOM 0 HG22 THR A 42 9.987 -17.958 5.415 1.00 0.00 H new ATOM 0 HG23 THR A 42 10.845 -19.393 4.806 1.00 0.00 H new ATOM 689 N GLU A 43 6.781 -18.972 7.032 1.00 0.00 N ATOM 690 CA GLU A 43 5.413 -18.751 7.508 1.00 0.00 C ATOM 691 C GLU A 43 4.323 -19.505 6.730 1.00 0.00 C ATOM 692 O GLU A 43 3.163 -19.463 7.124 1.00 0.00 O ATOM 693 CB GLU A 43 5.108 -17.248 7.521 1.00 0.00 C ATOM 694 CG GLU A 43 4.919 -16.603 6.141 1.00 0.00 C ATOM 695 CD GLU A 43 6.181 -16.036 5.488 1.00 0.00 C ATOM 696 OE1 GLU A 43 7.238 -16.702 5.572 1.00 0.00 O ATOM 697 OE2 GLU A 43 6.049 -14.951 4.881 1.00 0.00 O ATOM 0 H GLU A 43 7.244 -18.107 6.753 1.00 0.00 H new ATOM 0 HA GLU A 43 5.382 -19.166 8.516 1.00 0.00 H new ATOM 0 HB2 GLU A 43 4.204 -17.083 8.107 1.00 0.00 H new ATOM 0 HB3 GLU A 43 5.920 -16.734 8.035 1.00 0.00 H new ATOM 0 HG2 GLU A 43 4.489 -17.347 5.470 1.00 0.00 H new ATOM 0 HG3 GLU A 43 4.189 -15.799 6.235 1.00 0.00 H new ATOM 704 N THR A 44 4.713 -20.137 5.621 1.00 0.00 N ATOM 705 CA THR A 44 4.054 -21.114 4.738 1.00 0.00 C ATOM 706 C THR A 44 3.415 -22.300 5.457 1.00 0.00 C ATOM 707 O THR A 44 3.734 -23.466 5.230 1.00 0.00 O ATOM 708 CB THR A 44 5.044 -21.574 3.652 1.00 0.00 C ATOM 709 OG1 THR A 44 5.896 -20.535 3.215 1.00 0.00 O ATOM 710 CG2 THR A 44 4.303 -22.082 2.417 1.00 0.00 C ATOM 0 H THR A 44 5.649 -19.945 5.263 1.00 0.00 H new ATOM 0 HA THR A 44 3.211 -20.597 4.280 1.00 0.00 H new ATOM 0 HB THR A 44 5.635 -22.363 4.116 1.00 0.00 H new ATOM 0 HG1 THR A 44 6.814 -20.721 3.504 1.00 0.00 H new ATOM 0 HG21 THR A 44 5.025 -22.401 1.665 1.00 0.00 H new ATOM 0 HG22 THR A 44 3.671 -22.926 2.694 1.00 0.00 H new ATOM 0 HG23 THR A 44 3.684 -21.283 2.010 1.00 0.00 H new ATOM 718 N LEU A 45 2.472 -21.963 6.329 1.00 0.00 N ATOM 719 CA LEU A 45 1.825 -22.795 7.322 1.00 0.00 C ATOM 720 C LEU A 45 0.841 -23.853 6.782 1.00 0.00 C ATOM 721 O LEU A 45 -0.072 -24.229 7.507 1.00 0.00 O ATOM 722 CB LEU A 45 1.144 -21.814 8.295 1.00 0.00 C ATOM 723 CG LEU A 45 -0.096 -21.098 7.712 1.00 0.00 C ATOM 724 CD1 LEU A 45 -1.055 -20.805 8.852 1.00 0.00 C ATOM 725 CD2 LEU A 45 0.173 -19.783 6.985 1.00 0.00 C ATOM 0 H LEU A 45 2.111 -21.009 6.356 1.00 0.00 H new ATOM 0 HA LEU A 45 2.578 -23.420 7.803 1.00 0.00 H new ATOM 0 HB2 LEU A 45 0.847 -22.358 9.192 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.871 -21.063 8.604 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.495 -21.779 6.961 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.939 -20.299 8.463 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -1.352 -21.740 9.327 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.564 -20.165 9.585 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.767 -19.371 6.619 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.636 -19.075 7.673 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.842 -19.963 6.144 1.00 0.00 H new ATOM 737 N LEU A 46 0.928 -24.246 5.506 1.00 0.00 N ATOM 738 CA LEU A 46 -0.088 -25.038 4.791 1.00 0.00 C ATOM 739 C LEU A 46 0.378 -25.490 3.393 1.00 0.00 C ATOM 740 O LEU A 46 1.420 -25.037 2.933 1.00 0.00 O ATOM 741 CB LEU A 46 -1.409 -24.234 4.744 1.00 0.00 C ATOM 742 CG LEU A 46 -1.458 -22.917 3.949 1.00 0.00 C ATOM 743 CD1 LEU A 46 -2.658 -22.099 4.415 1.00 0.00 C ATOM 744 CD2 LEU A 46 -0.234 -22.008 3.912 1.00 0.00 C ATOM 0 H LEU A 46 1.732 -24.016 4.921 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.256 -25.965 5.339 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -2.179 -24.891 4.339 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.692 -24.008 5.772 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.519 -23.274 2.921 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.700 -21.164 3.856 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -3.573 -22.666 4.243 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.560 -21.882 5.479 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -0.452 -21.129 3.306 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.019 -21.696 4.926 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.607 -22.548 3.478 1.00 0.00 H new ATOM 756 N VAL A 47 -0.359 -26.382 2.707 1.00 0.00 N ATOM 757 CA VAL A 47 0.032 -26.988 1.417 1.00 0.00 C ATOM 758 C VAL A 47 -1.160 -27.160 0.473 1.00 0.00 C ATOM 759 O VAL A 47 -2.241 -27.625 0.851 1.00 0.00 O ATOM 760 CB VAL A 47 0.728 -28.348 1.608 1.00 0.00 C ATOM 761 CG1 VAL A 47 1.327 -28.869 0.300 1.00 0.00 C ATOM 762 CG2 VAL A 47 1.882 -28.225 2.587 1.00 0.00 C ATOM 0 H VAL A 47 -1.265 -26.711 3.041 1.00 0.00 H new ATOM 0 HA VAL A 47 0.737 -26.290 0.964 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.038 -29.031 1.974 1.00 0.00 H new ATOM 0 HG11 VAL A 47 1.809 -29.830 0.478 1.00 0.00 H new ATOM 0 HG12 VAL A 47 0.536 -28.991 -0.439 1.00 0.00 H new ATOM 0 HG13 VAL A 47 2.064 -28.157 -0.072 1.00 0.00 H new ATOM 0 HG21 VAL A 47 2.361 -29.196 2.709 1.00 0.00 H new ATOM 0 HG22 VAL A 47 2.608 -27.508 2.205 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.506 -27.883 3.551 1.00 0.00 H new ATOM 772 N GLN A 48 -0.921 -26.787 -0.786 1.00 0.00 N ATOM 773 CA GLN A 48 -1.863 -26.838 -1.913 1.00 0.00 C ATOM 774 C GLN A 48 -2.514 -28.223 -2.126 1.00 0.00 C ATOM 775 O GLN A 48 -3.607 -28.305 -2.674 1.00 0.00 O ATOM 776 CB GLN A 48 -1.112 -26.381 -3.180 1.00 0.00 C ATOM 777 CG GLN A 48 -0.624 -24.917 -3.115 1.00 0.00 C ATOM 778 CD GLN A 48 0.603 -24.683 -3.986 1.00 0.00 C ATOM 779 OE1 GLN A 48 1.726 -24.796 -3.534 1.00 0.00 O ATOM 780 NE2 GLN A 48 0.453 -24.413 -5.263 1.00 0.00 N ATOM 0 H GLN A 48 -0.012 -26.419 -1.066 1.00 0.00 H new ATOM 0 HA GLN A 48 -2.695 -26.172 -1.686 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -0.254 -27.034 -3.339 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -1.767 -26.499 -4.043 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -1.427 -24.253 -3.435 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -0.390 -24.659 -2.082 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -0.483 -24.315 -5.657 1.00 0.00 H new ATOM 0 HE22 GLN A 48 1.272 -24.301 -5.860 1.00 0.00 H new ATOM 789 N ASN A 49 -1.882 -29.309 -1.642 1.00 0.00 N ATOM 790 CA ASN A 49 -2.369 -30.698 -1.691 1.00 0.00 C ATOM 791 C ASN A 49 -3.790 -30.893 -1.108 1.00 0.00 C ATOM 792 O ASN A 49 -4.544 -31.744 -1.588 1.00 0.00 O ATOM 793 CB ASN A 49 -1.329 -31.576 -0.960 1.00 0.00 C ATOM 794 CG ASN A 49 -1.564 -33.073 -1.106 1.00 0.00 C ATOM 795 OD1 ASN A 49 -2.215 -33.547 -2.026 1.00 0.00 O ATOM 796 ND2 ASN A 49 -1.043 -33.868 -0.200 1.00 0.00 N ATOM 0 H ASN A 49 -0.973 -29.236 -1.184 1.00 0.00 H new ATOM 0 HA ASN A 49 -2.471 -30.992 -2.736 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -0.336 -31.337 -1.341 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -1.335 -31.320 0.100 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -1.182 -34.876 -0.266 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -0.499 -33.477 0.569 1.00 0.00 H new ATOM 803 N ALA A 50 -4.151 -30.085 -0.098 1.00 0.00 N ATOM 804 CA ALA A 50 -5.495 -29.921 0.473 1.00 0.00 C ATOM 805 C ALA A 50 -6.377 -31.197 0.575 1.00 0.00 C ATOM 806 O ALA A 50 -7.571 -31.173 0.256 1.00 0.00 O ATOM 807 CB ALA A 50 -6.168 -28.759 -0.277 1.00 0.00 C ATOM 0 H ALA A 50 -3.467 -29.491 0.371 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.377 -29.690 1.532 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -7.172 -28.604 0.118 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -5.581 -27.851 -0.143 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -6.229 -28.998 -1.339 1.00 0.00 H new ATOM 813 N ASN A 51 -5.821 -32.312 1.044 1.00 0.00 N ATOM 814 CA ASN A 51 -6.518 -33.600 1.146 1.00 0.00 C ATOM 815 C ASN A 51 -7.525 -33.602 2.323 1.00 0.00 C ATOM 816 O ASN A 51 -7.427 -32.732 3.200 1.00 0.00 O ATOM 817 CB ASN A 51 -5.476 -34.734 1.142 1.00 0.00 C ATOM 818 CG ASN A 51 -4.343 -34.596 2.136 1.00 0.00 C ATOM 819 OD1 ASN A 51 -3.664 -33.581 2.232 1.00 0.00 O ATOM 820 ND2 ASN A 51 -4.082 -35.642 2.860 1.00 0.00 N ATOM 0 H ASN A 51 -4.856 -32.350 1.371 1.00 0.00 H new ATOM 0 HA ASN A 51 -7.152 -33.777 0.277 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -5.991 -35.675 1.336 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -5.049 -34.805 0.142 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -3.303 -35.625 3.519 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -4.656 -36.481 2.770 1.00 0.00 H new ATOM 827 N PRO A 52 -8.580 -34.445 2.309 1.00 0.00 N ATOM 828 CA PRO A 52 -9.694 -34.323 3.256 1.00 0.00 C ATOM 829 C PRO A 52 -9.243 -34.418 4.715 1.00 0.00 C ATOM 830 O PRO A 52 -9.513 -33.497 5.484 1.00 0.00 O ATOM 831 CB PRO A 52 -10.711 -35.406 2.870 1.00 0.00 C ATOM 832 CG PRO A 52 -9.908 -36.398 2.031 1.00 0.00 C ATOM 833 CD PRO A 52 -8.852 -35.520 1.363 1.00 0.00 C ATOM 0 HA PRO A 52 -10.149 -33.335 3.190 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -11.136 -35.884 3.752 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -11.542 -34.987 2.303 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -9.454 -37.173 2.649 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -10.535 -36.903 1.296 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -7.948 -36.090 1.147 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -9.214 -35.125 0.414 1.00 0.00 H new ATOM 841 N ASP A 53 -8.499 -35.476 5.028 1.00 0.00 N ATOM 842 CA ASP A 53 -7.961 -35.836 6.337 1.00 0.00 C ATOM 843 C ASP A 53 -7.237 -34.672 7.038 1.00 0.00 C ATOM 844 O ASP A 53 -7.749 -34.199 8.054 1.00 0.00 O ATOM 845 CB ASP A 53 -7.096 -37.098 6.153 1.00 0.00 C ATOM 846 CG ASP A 53 -6.038 -36.925 5.059 1.00 0.00 C ATOM 847 OD1 ASP A 53 -6.398 -36.910 3.853 1.00 0.00 O ATOM 848 OD2 ASP A 53 -4.884 -36.643 5.432 1.00 0.00 O ATOM 0 H ASP A 53 -8.236 -36.158 4.316 1.00 0.00 H new ATOM 0 HA ASP A 53 -8.775 -36.062 7.025 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -6.604 -37.339 7.096 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -7.738 -37.943 5.903 1.00 0.00 H new ATOM 853 N CYS A 54 -6.136 -34.142 6.472 1.00 0.00 N ATOM 854 CA CYS A 54 -5.392 -32.980 6.999 1.00 0.00 C ATOM 855 C CYS A 54 -6.332 -31.907 7.549 1.00 0.00 C ATOM 856 O CYS A 54 -6.303 -31.573 8.729 1.00 0.00 O ATOM 857 CB CYS A 54 -4.435 -32.431 5.906 1.00 0.00 C ATOM 858 SG CYS A 54 -4.380 -30.618 5.713 1.00 0.00 S ATOM 0 H CYS A 54 -5.729 -34.518 5.616 1.00 0.00 H new ATOM 0 HA CYS A 54 -4.786 -33.304 7.845 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -3.427 -32.782 6.127 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -4.722 -32.868 4.950 1.00 0.00 H new ATOM 0 HG CYS A 54 -3.541 -30.307 4.770 1.00 0.00 H new ATOM 864 N LYS A 55 -7.235 -31.391 6.720 1.00 0.00 N ATOM 865 CA LYS A 55 -8.060 -30.245 7.124 1.00 0.00 C ATOM 866 C LYS A 55 -9.020 -30.562 8.268 1.00 0.00 C ATOM 867 O LYS A 55 -9.159 -29.735 9.164 1.00 0.00 O ATOM 868 CB LYS A 55 -8.818 -29.712 5.926 1.00 0.00 C ATOM 869 CG LYS A 55 -7.927 -28.827 5.024 1.00 0.00 C ATOM 870 CD LYS A 55 -7.448 -29.406 3.680 1.00 0.00 C ATOM 871 CE LYS A 55 -8.591 -29.516 2.662 1.00 0.00 C ATOM 872 NZ LYS A 55 -9.347 -30.777 2.796 1.00 0.00 N ATOM 0 H LYS A 55 -7.416 -31.738 5.778 1.00 0.00 H new ATOM 0 HA LYS A 55 -7.380 -29.483 7.504 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -9.208 -30.546 5.343 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -9.676 -29.133 6.268 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -8.475 -27.908 4.814 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -7.044 -28.548 5.599 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -6.659 -28.773 3.273 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -7.013 -30.392 3.844 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -9.270 -28.673 2.791 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -8.183 -29.446 1.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -9.739 -31.046 1.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -8.712 -31.528 3.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -10.123 -30.646 3.476 1.00 0.00 H new ATOM 886 N THR A 56 -9.628 -31.747 8.257 1.00 0.00 N ATOM 887 CA THR A 56 -10.409 -32.304 9.374 1.00 0.00 C ATOM 888 C THR A 56 -9.588 -32.435 10.666 1.00 0.00 C ATOM 889 O THR A 56 -10.168 -32.502 11.747 1.00 0.00 O ATOM 890 CB THR A 56 -10.980 -33.678 8.975 1.00 0.00 C ATOM 891 OG1 THR A 56 -11.642 -33.580 7.733 1.00 0.00 O ATOM 892 CG2 THR A 56 -12.007 -34.252 9.950 1.00 0.00 C ATOM 0 H THR A 56 -9.593 -32.369 7.449 1.00 0.00 H new ATOM 0 HA THR A 56 -11.219 -31.605 9.580 1.00 0.00 H new ATOM 0 HB THR A 56 -10.112 -34.337 8.956 1.00 0.00 H new ATOM 0 HG1 THR A 56 -10.991 -33.679 7.007 1.00 0.00 H new ATOM 0 HG21 THR A 56 -12.352 -35.220 9.587 1.00 0.00 H new ATOM 0 HG22 THR A 56 -11.548 -34.375 10.931 1.00 0.00 H new ATOM 0 HG23 THR A 56 -12.854 -33.571 10.029 1.00 0.00 H new ATOM 900 N ILE A 57 -8.252 -32.421 10.572 1.00 0.00 N ATOM 901 CA ILE A 57 -7.349 -32.609 11.730 1.00 0.00 C ATOM 902 C ILE A 57 -6.781 -31.283 12.245 1.00 0.00 C ATOM 903 O ILE A 57 -7.061 -30.916 13.387 1.00 0.00 O ATOM 904 CB ILE A 57 -6.218 -33.606 11.412 1.00 0.00 C ATOM 905 CG1 ILE A 57 -6.793 -35.000 11.097 1.00 0.00 C ATOM 906 CG2 ILE A 57 -5.229 -33.722 12.590 1.00 0.00 C ATOM 907 CD1 ILE A 57 -5.833 -35.785 10.201 1.00 0.00 C ATOM 0 H ILE A 57 -7.759 -32.279 9.690 1.00 0.00 H new ATOM 0 HA ILE A 57 -7.956 -33.033 12.530 1.00 0.00 H new ATOM 0 HB ILE A 57 -5.687 -33.226 10.539 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -6.964 -35.547 12.024 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -7.760 -34.898 10.604 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -4.442 -34.432 12.336 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -4.786 -32.746 12.791 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -5.759 -34.069 13.477 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -6.255 -36.767 9.988 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -5.683 -35.244 9.266 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -4.876 -35.903 10.709 1.00 0.00 H new ATOM 919 N LEU A 58 -6.029 -30.515 11.437 1.00 0.00 N ATOM 920 CA LEU A 58 -5.437 -29.245 11.891 1.00 0.00 C ATOM 921 C LEU A 58 -6.486 -28.225 12.327 1.00 0.00 C ATOM 922 O LEU A 58 -6.188 -27.349 13.136 1.00 0.00 O ATOM 923 CB LEU A 58 -4.503 -28.606 10.862 1.00 0.00 C ATOM 924 CG LEU A 58 -3.331 -29.509 10.457 1.00 0.00 C ATOM 925 CD1 LEU A 58 -3.700 -30.451 9.322 1.00 0.00 C ATOM 926 CD2 LEU A 58 -2.150 -28.636 10.042 1.00 0.00 C ATOM 0 H LEU A 58 -5.817 -30.752 10.468 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.840 -29.524 12.759 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -5.077 -28.348 9.972 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.110 -27.674 11.269 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.066 -30.125 11.316 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.840 -31.071 9.069 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -4.528 -31.089 9.633 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -3.998 -29.870 8.449 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.312 -29.271 9.753 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.439 -28.010 9.198 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -1.854 -28.003 10.879 1.00 0.00 H new ATOM 938 N LYS A 59 -7.733 -28.388 11.871 1.00 0.00 N ATOM 939 CA LYS A 59 -8.882 -27.674 12.439 1.00 0.00 C ATOM 940 C LYS A 59 -8.984 -27.670 13.971 1.00 0.00 C ATOM 941 O LYS A 59 -9.573 -26.745 14.526 1.00 0.00 O ATOM 942 CB LYS A 59 -10.142 -28.272 11.844 1.00 0.00 C ATOM 943 CG LYS A 59 -10.614 -27.385 10.696 1.00 0.00 C ATOM 944 CD LYS A 59 -11.152 -25.996 11.133 1.00 0.00 C ATOM 945 CE LYS A 59 -11.938 -25.975 12.461 1.00 0.00 C ATOM 946 NZ LYS A 59 -12.087 -24.611 13.028 1.00 0.00 N ATOM 0 H LYS A 59 -7.973 -29.014 11.103 1.00 0.00 H new ATOM 0 HA LYS A 59 -8.745 -26.624 12.178 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -9.947 -29.282 11.484 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -10.919 -28.349 12.605 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -9.785 -27.238 10.003 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -11.398 -27.908 10.148 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -10.309 -25.310 11.219 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -11.797 -25.611 10.343 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -12.927 -26.404 12.298 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -11.430 -26.610 13.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -12.608 -24.664 13.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -11.146 -24.200 13.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -12.611 -24.012 12.359 1.00 0.00 H new ATOM 960 N ALA A 60 -8.424 -28.691 14.613 1.00 0.00 N ATOM 961 CA ALA A 60 -8.224 -28.789 16.060 1.00 0.00 C ATOM 962 C ALA A 60 -6.741 -29.010 16.451 1.00 0.00 C ATOM 963 O ALA A 60 -6.420 -29.093 17.633 1.00 0.00 O ATOM 964 CB ALA A 60 -9.136 -29.903 16.589 1.00 0.00 C ATOM 0 H ALA A 60 -8.080 -29.513 14.117 1.00 0.00 H new ATOM 0 HA ALA A 60 -8.491 -27.839 16.523 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -9.007 -29.998 17.667 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -10.175 -29.658 16.368 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -8.875 -30.846 16.108 1.00 0.00 H new ATOM 970 N LEU A 61 -5.826 -29.061 15.474 1.00 0.00 N ATOM 971 CA LEU A 61 -4.404 -29.389 15.637 1.00 0.00 C ATOM 972 C LEU A 61 -3.480 -28.295 15.066 1.00 0.00 C ATOM 973 O LEU A 61 -2.484 -28.556 14.391 1.00 0.00 O ATOM 974 CB LEU A 61 -4.144 -30.818 15.114 1.00 0.00 C ATOM 975 CG LEU A 61 -3.295 -31.656 16.091 1.00 0.00 C ATOM 976 CD1 LEU A 61 -3.464 -33.146 15.809 1.00 0.00 C ATOM 977 CD2 LEU A 61 -1.811 -31.305 16.002 1.00 0.00 C ATOM 0 H LEU A 61 -6.069 -28.865 14.503 1.00 0.00 H new ATOM 0 HA LEU A 61 -4.145 -29.398 16.696 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -5.097 -31.319 14.944 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.636 -30.763 14.151 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.650 -31.423 17.095 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -2.857 -33.720 16.509 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -4.512 -33.422 15.927 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.144 -33.362 14.790 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.249 -31.918 16.707 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -1.452 -31.494 14.990 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -1.671 -30.252 16.246 1.00 0.00 H new ATOM 989 N GLY A 62 -3.786 -27.047 15.427 1.00 0.00 N ATOM 990 CA GLY A 62 -2.932 -25.875 15.205 1.00 0.00 C ATOM 991 C GLY A 62 -2.376 -25.279 16.503 1.00 0.00 C ATOM 992 O GLY A 62 -2.557 -24.079 16.709 1.00 0.00 O ATOM 0 H GLY A 62 -4.661 -26.816 15.896 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -2.102 -26.156 14.557 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -3.504 -25.111 14.678 1.00 0.00 H new ATOM 996 N PRO A 63 -1.712 -26.055 17.396 1.00 0.00 N ATOM 997 CA PRO A 63 -1.196 -25.588 18.693 1.00 0.00 C ATOM 998 C PRO A 63 0.081 -24.732 18.547 1.00 0.00 C ATOM 999 O PRO A 63 1.021 -24.870 19.321 1.00 0.00 O ATOM 1000 CB PRO A 63 -0.954 -26.880 19.490 1.00 0.00 C ATOM 1001 CG PRO A 63 -0.444 -27.827 18.409 1.00 0.00 C ATOM 1002 CD PRO A 63 -1.351 -27.463 17.237 1.00 0.00 C ATOM 0 HA PRO A 63 -1.896 -24.922 19.198 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -0.223 -26.738 20.286 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -1.867 -27.248 19.958 1.00 0.00 H new ATOM 0 HG2 PRO A 63 0.609 -27.661 18.181 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -0.546 -28.873 18.698 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -0.839 -27.625 16.288 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -2.242 -28.091 17.230 1.00 0.00 H new ATOM 1010 N ALA A 64 0.155 -23.919 17.489 1.00 0.00 N ATOM 1011 CA ALA A 64 1.284 -23.056 17.113 1.00 0.00 C ATOM 1012 C ALA A 64 2.666 -23.732 16.908 1.00 0.00 C ATOM 1013 O ALA A 64 3.628 -23.016 16.654 1.00 0.00 O ATOM 1014 CB ALA A 64 1.333 -21.861 18.080 1.00 0.00 C ATOM 0 H ALA A 64 -0.619 -23.839 16.830 1.00 0.00 H new ATOM 0 HA ALA A 64 1.076 -22.724 16.096 1.00 0.00 H new ATOM 0 HB1 ALA A 64 2.166 -21.211 17.813 1.00 0.00 H new ATOM 0 HB2 ALA A 64 0.400 -21.301 18.014 1.00 0.00 H new ATOM 0 HB3 ALA A 64 1.467 -22.223 19.099 1.00 0.00 H new ATOM 1020 N ALA A 65 2.767 -25.069 16.960 1.00 0.00 N ATOM 1021 CA ALA A 65 3.996 -25.819 16.652 1.00 0.00 C ATOM 1022 C ALA A 65 3.718 -27.083 15.816 1.00 0.00 C ATOM 1023 O ALA A 65 4.080 -27.138 14.652 1.00 0.00 O ATOM 1024 CB ALA A 65 4.713 -26.148 17.968 1.00 0.00 C ATOM 0 H ALA A 65 1.985 -25.670 17.221 1.00 0.00 H new ATOM 0 HA ALA A 65 4.643 -25.198 16.033 1.00 0.00 H new ATOM 0 HB1 ALA A 65 5.626 -26.704 17.756 1.00 0.00 H new ATOM 0 HB2 ALA A 65 4.964 -25.223 18.487 1.00 0.00 H new ATOM 0 HB3 ALA A 65 4.059 -26.751 18.598 1.00 0.00 H new ATOM 1030 N THR A 66 2.963 -28.068 16.326 1.00 0.00 N ATOM 1031 CA THR A 66 2.705 -29.359 15.630 1.00 0.00 C ATOM 1032 C THR A 66 2.125 -29.236 14.208 1.00 0.00 C ATOM 1033 O THR A 66 2.173 -30.162 13.412 1.00 0.00 O ATOM 1034 CB THR A 66 1.792 -30.259 16.477 1.00 0.00 C ATOM 1035 OG1 THR A 66 2.140 -30.161 17.842 1.00 0.00 O ATOM 1036 CG2 THR A 66 1.886 -31.737 16.108 1.00 0.00 C ATOM 0 H THR A 66 2.508 -28.001 17.236 1.00 0.00 H new ATOM 0 HA THR A 66 3.692 -29.806 15.512 1.00 0.00 H new ATOM 0 HB THR A 66 0.779 -29.907 16.282 1.00 0.00 H new ATOM 0 HG1 THR A 66 1.551 -30.737 18.372 1.00 0.00 H new ATOM 0 HG21 THR A 66 1.216 -32.314 16.745 1.00 0.00 H new ATOM 0 HG22 THR A 66 1.600 -31.870 15.065 1.00 0.00 H new ATOM 0 HG23 THR A 66 2.910 -32.083 16.251 1.00 0.00 H new ATOM 1044 N LEU A 67 1.606 -28.079 13.817 1.00 0.00 N ATOM 1045 CA LEU A 67 1.261 -27.817 12.422 1.00 0.00 C ATOM 1046 C LEU A 67 2.435 -28.084 11.461 1.00 0.00 C ATOM 1047 O LEU A 67 2.236 -28.701 10.427 1.00 0.00 O ATOM 1048 CB LEU A 67 0.812 -26.369 12.361 1.00 0.00 C ATOM 1049 CG LEU A 67 0.082 -25.874 11.095 1.00 0.00 C ATOM 1050 CD1 LEU A 67 0.244 -24.362 11.065 1.00 0.00 C ATOM 1051 CD2 LEU A 67 0.608 -26.458 9.805 1.00 0.00 C ATOM 0 H LEU A 67 1.413 -27.302 14.449 1.00 0.00 H new ATOM 0 HA LEU A 67 0.471 -28.493 12.095 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.156 -26.190 13.213 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.693 -25.743 12.501 1.00 0.00 H new ATOM 0 HG LEU A 67 -0.958 -26.195 11.155 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.257 -23.960 10.184 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.199 -23.931 11.963 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.304 -24.110 11.026 1.00 0.00 H new ATOM 0 HD21 LEU A 67 0.039 -26.057 8.966 1.00 0.00 H new ATOM 0 HD22 LEU A 67 1.660 -26.196 9.689 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.505 -27.543 9.828 1.00 0.00 H new ATOM 1063 N GLU A 68 3.645 -27.647 11.786 1.00 0.00 N ATOM 1064 CA GLU A 68 4.850 -27.835 10.949 1.00 0.00 C ATOM 1065 C GLU A 68 5.022 -29.257 10.399 1.00 0.00 C ATOM 1066 O GLU A 68 5.485 -29.432 9.273 1.00 0.00 O ATOM 1067 CB GLU A 68 6.110 -27.491 11.757 1.00 0.00 C ATOM 1068 CG GLU A 68 6.082 -26.069 12.303 1.00 0.00 C ATOM 1069 CD GLU A 68 7.298 -25.786 13.201 1.00 0.00 C ATOM 1070 OE1 GLU A 68 8.426 -25.736 12.656 1.00 0.00 O ATOM 1071 OE2 GLU A 68 7.084 -25.666 14.432 1.00 0.00 O ATOM 0 H GLU A 68 3.833 -27.141 12.652 1.00 0.00 H new ATOM 0 HA GLU A 68 4.713 -27.167 10.098 1.00 0.00 H new ATOM 0 HB2 GLU A 68 6.210 -28.193 12.585 1.00 0.00 H new ATOM 0 HB3 GLU A 68 6.989 -27.617 11.125 1.00 0.00 H new ATOM 0 HG2 GLU A 68 6.067 -25.360 11.475 1.00 0.00 H new ATOM 0 HG3 GLU A 68 5.165 -25.914 12.871 1.00 0.00 H new ATOM 1078 N GLU A 69 4.611 -30.268 11.170 1.00 0.00 N ATOM 1079 CA GLU A 69 4.483 -31.629 10.615 1.00 0.00 C ATOM 1080 C GLU A 69 3.221 -31.764 9.740 1.00 0.00 C ATOM 1081 O GLU A 69 3.300 -32.173 8.578 1.00 0.00 O ATOM 1082 CB GLU A 69 4.547 -32.730 11.693 1.00 0.00 C ATOM 1083 CG GLU A 69 3.529 -32.632 12.833 1.00 0.00 C ATOM 1084 CD GLU A 69 3.268 -33.970 13.528 1.00 0.00 C ATOM 1085 OE1 GLU A 69 2.415 -34.707 12.981 1.00 0.00 O ATOM 1086 OE2 GLU A 69 3.880 -34.219 14.592 1.00 0.00 O ATOM 0 H GLU A 69 4.365 -30.181 12.156 1.00 0.00 H new ATOM 0 HA GLU A 69 5.353 -31.781 9.976 1.00 0.00 H new ATOM 0 HB2 GLU A 69 4.418 -33.695 11.203 1.00 0.00 H new ATOM 0 HB3 GLU A 69 5.547 -32.724 12.127 1.00 0.00 H new ATOM 0 HG2 GLU A 69 3.886 -31.912 13.569 1.00 0.00 H new ATOM 0 HG3 GLU A 69 2.589 -32.246 12.439 1.00 0.00 H new ATOM 1093 N MET A 70 2.063 -31.356 10.266 1.00 0.00 N ATOM 1094 CA MET A 70 0.722 -31.522 9.680 1.00 0.00 C ATOM 1095 C MET A 70 0.458 -30.810 8.344 1.00 0.00 C ATOM 1096 O MET A 70 -0.427 -31.234 7.596 1.00 0.00 O ATOM 1097 CB MET A 70 -0.304 -31.062 10.694 1.00 0.00 C ATOM 1098 CG MET A 70 -0.303 -31.754 12.037 1.00 0.00 C ATOM 1099 SD MET A 70 -1.690 -32.891 12.295 1.00 0.00 S ATOM 1100 CE MET A 70 -0.847 -34.113 13.341 1.00 0.00 C ATOM 0 H MET A 70 2.030 -30.873 11.164 1.00 0.00 H new ATOM 0 HA MET A 70 0.648 -32.583 9.441 1.00 0.00 H new ATOM 0 HB2 MET A 70 -0.158 -29.995 10.863 1.00 0.00 H new ATOM 0 HB3 MET A 70 -1.293 -31.182 10.252 1.00 0.00 H new ATOM 0 HG2 MET A 70 0.630 -32.308 12.146 1.00 0.00 H new ATOM 0 HG3 MET A 70 -0.318 -30.998 12.822 1.00 0.00 H new ATOM 0 HE1 MET A 70 -1.582 -34.795 13.768 1.00 0.00 H new ATOM 0 HE2 MET A 70 -0.135 -34.677 12.739 1.00 0.00 H new ATOM 0 HE3 MET A 70 -0.317 -33.601 14.144 1.00 0.00 H new ATOM 1110 N MET A 71 1.255 -29.779 8.035 1.00 0.00 N ATOM 1111 CA MET A 71 1.359 -29.067 6.742 1.00 0.00 C ATOM 1112 C MET A 71 1.252 -30.069 5.584 1.00 0.00 C ATOM 1113 O MET A 71 0.452 -29.888 4.668 1.00 0.00 O ATOM 1114 CB MET A 71 2.698 -28.284 6.759 1.00 0.00 C ATOM 1115 CG MET A 71 3.345 -27.762 5.447 1.00 0.00 C ATOM 1116 SD MET A 71 5.069 -27.312 5.720 1.00 0.00 S ATOM 1117 CE MET A 71 5.860 -28.938 5.845 1.00 0.00 C ATOM 0 H MET A 71 1.893 -29.388 8.728 1.00 0.00 H new ATOM 0 HA MET A 71 0.544 -28.358 6.595 1.00 0.00 H new ATOM 0 HB2 MET A 71 2.552 -27.420 7.407 1.00 0.00 H new ATOM 0 HB3 MET A 71 3.435 -28.925 7.243 1.00 0.00 H new ATOM 0 HG2 MET A 71 3.282 -28.529 4.675 1.00 0.00 H new ATOM 0 HG3 MET A 71 2.792 -26.897 5.082 1.00 0.00 H new ATOM 0 HE1 MET A 71 6.943 -28.815 5.872 1.00 0.00 H new ATOM 0 HE2 MET A 71 5.529 -29.435 6.757 1.00 0.00 H new ATOM 0 HE3 MET A 71 5.585 -29.544 4.982 1.00 0.00 H new ATOM 1127 N THR A 72 1.987 -31.178 5.710 1.00 0.00 N ATOM 1128 CA THR A 72 1.981 -32.295 4.763 1.00 0.00 C ATOM 1129 C THR A 72 2.050 -33.692 5.376 1.00 0.00 C ATOM 1130 O THR A 72 2.018 -34.645 4.608 1.00 0.00 O ATOM 1131 CB THR A 72 3.125 -32.193 3.749 1.00 0.00 C ATOM 1132 OG1 THR A 72 3.815 -30.969 3.782 1.00 0.00 O ATOM 1133 CG2 THR A 72 2.613 -32.372 2.320 1.00 0.00 C ATOM 0 H THR A 72 2.620 -31.327 6.496 1.00 0.00 H new ATOM 0 HA THR A 72 1.005 -32.190 4.289 1.00 0.00 H new ATOM 0 HB THR A 72 3.810 -32.990 4.038 1.00 0.00 H new ATOM 0 HG1 THR A 72 4.779 -31.138 3.833 1.00 0.00 H new ATOM 0 HG21 THR A 72 3.447 -32.295 1.622 1.00 0.00 H new ATOM 0 HG22 THR A 72 2.147 -33.352 2.221 1.00 0.00 H new ATOM 0 HG23 THR A 72 1.880 -31.597 2.096 1.00 0.00 H new ATOM 1141 N ALA A 73 2.132 -33.900 6.698 1.00 0.00 N ATOM 1142 CA ALA A 73 2.134 -35.262 7.275 1.00 0.00 C ATOM 1143 C ALA A 73 0.945 -36.116 6.780 1.00 0.00 C ATOM 1144 O ALA A 73 1.055 -37.329 6.590 1.00 0.00 O ATOM 1145 CB ALA A 73 2.163 -35.188 8.808 1.00 0.00 C ATOM 0 H ALA A 73 2.198 -33.152 7.388 1.00 0.00 H new ATOM 0 HA ALA A 73 3.038 -35.763 6.928 1.00 0.00 H new ATOM 0 HB1 ALA A 73 2.164 -36.197 9.221 1.00 0.00 H new ATOM 0 HB2 ALA A 73 3.062 -34.663 9.130 1.00 0.00 H new ATOM 0 HB3 ALA A 73 1.283 -34.652 9.163 1.00 0.00 H new ATOM 1151 N CYS A 74 -0.157 -35.446 6.439 1.00 0.00 N ATOM 1152 CA CYS A 74 -1.327 -36.010 5.780 1.00 0.00 C ATOM 1153 C CYS A 74 -1.063 -36.764 4.463 1.00 0.00 C ATOM 1154 O CYS A 74 -1.880 -37.583 4.043 1.00 0.00 O ATOM 1155 CB CYS A 74 -2.237 -34.818 5.555 1.00 0.00 C ATOM 1156 SG CYS A 74 -1.447 -33.629 4.419 1.00 0.00 S ATOM 0 H CYS A 74 -0.259 -34.448 6.625 1.00 0.00 H new ATOM 0 HA CYS A 74 -1.755 -36.791 6.409 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -3.189 -35.151 5.141 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -2.456 -34.333 6.506 1.00 0.00 H new ATOM 0 HG CYS A 74 -2.214 -33.441 3.386 1.00 0.00 H new ATOM 1162 N GLN A 75 0.085 -36.546 3.820 1.00 0.00 N ATOM 1163 CA GLN A 75 0.536 -37.285 2.640 1.00 0.00 C ATOM 1164 C GLN A 75 0.807 -38.781 2.915 1.00 0.00 C ATOM 1165 O GLN A 75 0.976 -39.556 1.981 1.00 0.00 O ATOM 1166 CB GLN A 75 1.726 -36.526 2.037 1.00 0.00 C ATOM 1167 CG GLN A 75 3.079 -36.791 2.722 1.00 0.00 C ATOM 1168 CD GLN A 75 4.120 -35.713 2.404 1.00 0.00 C ATOM 1169 OE1 GLN A 75 4.251 -35.233 1.291 1.00 0.00 O ATOM 1170 NE2 GLN A 75 4.897 -35.277 3.372 1.00 0.00 N ATOM 0 H GLN A 75 0.747 -35.828 4.115 1.00 0.00 H new ATOM 0 HA GLN A 75 -0.266 -37.324 1.902 1.00 0.00 H new ATOM 0 HB2 GLN A 75 1.811 -36.791 0.983 1.00 0.00 H new ATOM 0 HB3 GLN A 75 1.516 -35.457 2.081 1.00 0.00 H new ATOM 0 HG2 GLN A 75 2.932 -36.842 3.801 1.00 0.00 H new ATOM 0 HG3 GLN A 75 3.459 -37.762 2.405 1.00 0.00 H new ATOM 0 HE21 GLN A 75 4.806 -35.663 4.312 1.00 0.00 H new ATOM 0 HE22 GLN A 75 5.590 -34.553 3.183 1.00 0.00 H new