USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 582 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 70 ASN : amide:sc= 1.18 K(o=2.3,f=-0.17) USER MOD Set 1.2: A 75 HIS : no HE2:sc= 1.14 K(o=2.3,f=-5.1!) USER MOD Single : A 7 HIS : no HD1:sc= 0.646 K(o=0.65,f=-6.3!) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 MET CE :methyl -115:sc= -0.481 (180deg=-0.821) USER MOD Single : A 14 THR OG1 : rot -112:sc= 0.675 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot -78:sc= 0.579 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 ASN :FLIP amide:sc= -1.07! F(o=-1.8,f=-1.1!) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= -2.32! X(o=-2.3!,f=-2) USER MOD Single : A 50 HIS : no HD1:sc=-0.00744 X(o=-0.0074,f=-0.0074) USER MOD Single : A 54 SER OG : rot -45:sc= -0.17 USER MOD Single : A 55 GLN : amide:sc= -0.172 K(o=-0.17,f=-0.83) USER MOD Single : A 56 MET CE :methyl -165:sc= -0.22 (180deg=-0.792) USER MOD Single : A 58 LYS NZ :NH3+ -162:sc= -0.0444 (180deg=-0.359) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.376 USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot -32:sc= 0.279 USER MOD Single : A 73 LYS NZ :NH3+ -106:sc= 1.04 (180deg=-0.243) USER MOD Single : A 76 SER OG : rot 150:sc= -0.309 USER MOD ----------------------------------------------------------------- ATOM 110 N HIS A 7 -8.920 -11.726 5.700 1.00 0.00 N ATOM 111 CA HIS A 7 -8.309 -12.760 4.803 1.00 0.00 C ATOM 112 C HIS A 7 -6.788 -12.818 5.062 1.00 0.00 C ATOM 113 O HIS A 7 -6.270 -12.072 5.869 1.00 0.00 O ATOM 114 CB HIS A 7 -8.612 -12.398 3.311 1.00 0.00 C ATOM 115 CG HIS A 7 -9.720 -11.376 3.239 1.00 0.00 C ATOM 116 ND1 HIS A 7 -11.045 -11.721 3.015 1.00 0.00 N ATOM 117 CD2 HIS A 7 -9.707 -10.010 3.380 1.00 0.00 C ATOM 118 CE1 HIS A 7 -11.766 -10.586 3.030 1.00 0.00 C ATOM 119 NE2 HIS A 7 -10.999 -9.514 3.248 1.00 0.00 N ATOM 0 HA HIS A 7 -8.735 -13.741 5.011 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -7.714 -12.006 2.834 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -8.898 -13.295 2.762 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -8.827 -9.412 3.565 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -12.835 -10.546 2.884 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -11.297 -8.540 3.305 1.00 0.00 H new ATOM 127 N PRO A 8 -6.066 -13.692 4.385 1.00 0.00 N ATOM 128 CA PRO A 8 -4.583 -13.808 4.573 1.00 0.00 C ATOM 129 C PRO A 8 -3.862 -12.487 4.266 1.00 0.00 C ATOM 130 O PRO A 8 -4.248 -11.748 3.382 1.00 0.00 O ATOM 131 CB PRO A 8 -4.154 -14.921 3.582 1.00 0.00 C ATOM 132 CG PRO A 8 -5.416 -15.684 3.288 1.00 0.00 C ATOM 133 CD PRO A 8 -6.560 -14.663 3.389 1.00 0.00 C ATOM 0 HA PRO A 8 -4.323 -14.043 5.605 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -3.727 -14.498 2.673 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -3.394 -15.568 4.019 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -5.379 -16.132 2.295 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -5.555 -16.498 4.000 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -6.760 -14.187 2.429 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -7.490 -15.132 3.712 1.00 0.00 H new ATOM 141 N LEU A 9 -2.818 -12.189 4.990 1.00 0.00 N ATOM 142 CA LEU A 9 -2.075 -10.923 4.738 1.00 0.00 C ATOM 143 C LEU A 9 -1.459 -10.964 3.336 1.00 0.00 C ATOM 144 O LEU A 9 -1.481 -9.993 2.610 1.00 0.00 O ATOM 145 CB LEU A 9 -0.957 -10.768 5.782 1.00 0.00 C ATOM 146 CG LEU A 9 -1.520 -10.939 7.203 1.00 0.00 C ATOM 147 CD1 LEU A 9 -0.367 -10.850 8.212 1.00 0.00 C ATOM 148 CD2 LEU A 9 -2.564 -9.844 7.507 1.00 0.00 C ATOM 0 H LEU A 9 -2.448 -12.767 5.744 1.00 0.00 H new ATOM 0 HA LEU A 9 -2.761 -10.079 4.811 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -0.178 -11.508 5.602 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -0.493 -9.787 5.684 1.00 0.00 H new ATOM 0 HG LEU A 9 -2.008 -11.911 7.280 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -0.758 -10.970 9.222 1.00 0.00 H new ATOM 0 HD12 LEU A 9 0.358 -11.638 8.007 1.00 0.00 H new ATOM 0 HD13 LEU A 9 0.119 -9.878 8.124 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -2.951 -9.981 8.517 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -2.096 -8.863 7.428 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -3.383 -9.914 6.791 1.00 0.00 H new ATOM 160 N GLN A 10 -0.905 -12.083 2.955 1.00 0.00 N ATOM 161 CA GLN A 10 -0.277 -12.192 1.606 1.00 0.00 C ATOM 162 C GLN A 10 -1.351 -12.040 0.526 1.00 0.00 C ATOM 163 O GLN A 10 -1.182 -11.324 -0.440 1.00 0.00 O ATOM 164 CB GLN A 10 0.396 -13.563 1.477 1.00 0.00 C ATOM 165 CG GLN A 10 1.131 -13.662 0.138 1.00 0.00 C ATOM 166 CD GLN A 10 1.910 -14.979 0.067 1.00 0.00 C ATOM 167 OE1 GLN A 10 1.332 -16.046 0.123 1.00 0.00 O ATOM 168 NE2 GLN A 10 3.208 -14.945 -0.054 1.00 0.00 N ATOM 0 H GLN A 10 -0.860 -12.930 3.522 1.00 0.00 H new ATOM 0 HA GLN A 10 0.467 -11.406 1.481 1.00 0.00 H new ATOM 0 HB2 GLN A 10 1.097 -13.712 2.298 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -0.352 -14.353 1.550 1.00 0.00 H new ATOM 0 HG2 GLN A 10 0.417 -13.607 -0.684 1.00 0.00 H new ATOM 0 HG3 GLN A 10 1.813 -12.819 0.024 1.00 0.00 H new ATOM 0 HE21 GLN A 10 3.693 -14.049 -0.101 1.00 0.00 H new ATOM 0 HE22 GLN A 10 3.739 -15.815 -0.102 1.00 0.00 H new ATOM 177 N ASP A 11 -2.452 -12.710 0.684 1.00 0.00 N ATOM 178 CA ASP A 11 -3.540 -12.612 -0.324 1.00 0.00 C ATOM 179 C ASP A 11 -4.107 -11.188 -0.315 1.00 0.00 C ATOM 180 O ASP A 11 -4.634 -10.709 -1.299 1.00 0.00 O ATOM 181 CB ASP A 11 -4.644 -13.610 0.031 1.00 0.00 C ATOM 182 CG ASP A 11 -5.707 -13.642 -1.073 1.00 0.00 C ATOM 183 OD1 ASP A 11 -5.632 -12.823 -1.974 1.00 0.00 O ATOM 184 OD2 ASP A 11 -6.580 -14.491 -0.996 1.00 0.00 O ATOM 0 H ASP A 11 -2.648 -13.326 1.473 1.00 0.00 H new ATOM 0 HA ASP A 11 -3.151 -12.840 -1.316 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -4.217 -14.604 0.163 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -5.103 -13.332 0.980 1.00 0.00 H new ATOM 189 N MET A 12 -4.012 -10.518 0.802 1.00 0.00 N ATOM 190 CA MET A 12 -4.552 -9.133 0.904 1.00 0.00 C ATOM 191 C MET A 12 -3.735 -8.176 0.023 1.00 0.00 C ATOM 192 O MET A 12 -4.247 -7.586 -0.908 1.00 0.00 O ATOM 193 CB MET A 12 -4.471 -8.679 2.371 1.00 0.00 C ATOM 194 CG MET A 12 -5.227 -7.358 2.567 1.00 0.00 C ATOM 195 SD MET A 12 -7.011 -7.654 2.432 1.00 0.00 S ATOM 196 CE MET A 12 -7.563 -6.280 3.476 1.00 0.00 C ATOM 0 H MET A 12 -3.580 -10.874 1.654 1.00 0.00 H new ATOM 0 HA MET A 12 -5.587 -9.121 0.563 1.00 0.00 H new ATOM 0 HB2 MET A 12 -4.894 -9.447 3.019 1.00 0.00 H new ATOM 0 HB3 MET A 12 -3.428 -8.555 2.662 1.00 0.00 H new ATOM 0 HG2 MET A 12 -4.991 -6.933 3.543 1.00 0.00 H new ATOM 0 HG3 MET A 12 -4.911 -6.632 1.818 1.00 0.00 H new ATOM 0 HE1 MET A 12 -8.052 -6.674 4.367 1.00 0.00 H new ATOM 0 HE2 MET A 12 -6.703 -5.678 3.770 1.00 0.00 H new ATOM 0 HE3 MET A 12 -8.267 -5.661 2.920 1.00 0.00 H new ATOM 206 N PHE A 13 -2.477 -7.999 0.327 1.00 0.00 N ATOM 207 CA PHE A 13 -1.634 -7.058 -0.474 1.00 0.00 C ATOM 208 C PHE A 13 -1.542 -7.525 -1.929 1.00 0.00 C ATOM 209 O PHE A 13 -1.670 -6.746 -2.850 1.00 0.00 O ATOM 210 CB PHE A 13 -0.222 -7.008 0.118 1.00 0.00 C ATOM 211 CG PHE A 13 -0.287 -6.488 1.544 1.00 0.00 C ATOM 212 CD1 PHE A 13 -0.647 -5.155 1.781 1.00 0.00 C ATOM 213 CD2 PHE A 13 0.006 -7.335 2.627 1.00 0.00 C ATOM 214 CE1 PHE A 13 -0.716 -4.669 3.093 1.00 0.00 C ATOM 215 CE2 PHE A 13 -0.062 -6.846 3.935 1.00 0.00 C ATOM 216 CZ PHE A 13 -0.424 -5.516 4.170 1.00 0.00 C ATOM 0 H PHE A 13 -1.994 -8.465 1.096 1.00 0.00 H new ATOM 0 HA PHE A 13 -2.093 -6.070 -0.443 1.00 0.00 H new ATOM 0 HB2 PHE A 13 0.225 -8.002 0.102 1.00 0.00 H new ATOM 0 HB3 PHE A 13 0.415 -6.362 -0.487 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -0.872 -4.501 0.951 1.00 0.00 H new ATOM 0 HD2 PHE A 13 0.284 -8.363 2.449 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -0.994 -3.641 3.274 1.00 0.00 H new ATOM 0 HE2 PHE A 13 0.166 -7.497 4.766 1.00 0.00 H new ATOM 0 HZ PHE A 13 -0.478 -5.142 5.182 1.00 0.00 H new ATOM 226 N THR A 14 -1.299 -8.786 -2.146 1.00 0.00 N ATOM 227 CA THR A 14 -1.173 -9.290 -3.545 1.00 0.00 C ATOM 228 C THR A 14 -2.465 -9.035 -4.322 1.00 0.00 C ATOM 229 O THR A 14 -2.438 -8.613 -5.460 1.00 0.00 O ATOM 230 CB THR A 14 -0.888 -10.795 -3.518 1.00 0.00 C ATOM 231 OG1 THR A 14 -1.919 -11.448 -2.798 1.00 0.00 O ATOM 232 CG2 THR A 14 0.462 -11.063 -2.844 1.00 0.00 C ATOM 0 H THR A 14 -1.182 -9.491 -1.418 1.00 0.00 H new ATOM 0 HA THR A 14 -0.355 -8.764 -4.037 1.00 0.00 H new ATOM 0 HB THR A 14 -0.852 -11.175 -4.539 1.00 0.00 H new ATOM 0 HG1 THR A 14 -1.555 -11.813 -1.964 1.00 0.00 H new ATOM 0 HG21 THR A 14 0.655 -12.136 -2.830 1.00 0.00 H new ATOM 0 HG22 THR A 14 1.253 -10.559 -3.400 1.00 0.00 H new ATOM 0 HG23 THR A 14 0.440 -10.685 -1.822 1.00 0.00 H new ATOM 240 N SER A 15 -3.596 -9.296 -3.732 1.00 0.00 N ATOM 241 CA SER A 15 -4.878 -9.073 -4.460 1.00 0.00 C ATOM 242 C SER A 15 -5.021 -7.597 -4.835 1.00 0.00 C ATOM 243 O SER A 15 -5.381 -7.263 -5.945 1.00 0.00 O ATOM 244 CB SER A 15 -6.048 -9.470 -3.560 1.00 0.00 C ATOM 245 OG SER A 15 -7.254 -8.952 -4.104 1.00 0.00 O ATOM 0 H SER A 15 -3.690 -9.653 -2.781 1.00 0.00 H new ATOM 0 HA SER A 15 -4.879 -9.678 -5.366 1.00 0.00 H new ATOM 0 HB2 SER A 15 -6.108 -10.555 -3.480 1.00 0.00 H new ATOM 0 HB3 SER A 15 -5.894 -9.084 -2.552 1.00 0.00 H new ATOM 0 HG SER A 15 -8.007 -9.206 -3.530 1.00 0.00 H new ATOM 251 N ALA A 16 -4.756 -6.717 -3.916 1.00 0.00 N ATOM 252 CA ALA A 16 -4.891 -5.263 -4.210 1.00 0.00 C ATOM 253 C ALA A 16 -3.773 -4.790 -5.139 1.00 0.00 C ATOM 254 O ALA A 16 -4.012 -4.105 -6.111 1.00 0.00 O ATOM 255 CB ALA A 16 -4.808 -4.490 -2.899 1.00 0.00 C ATOM 0 H ALA A 16 -4.450 -6.940 -2.969 1.00 0.00 H new ATOM 0 HA ALA A 16 -5.848 -5.089 -4.701 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -4.905 -3.423 -3.099 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.612 -4.810 -2.236 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.847 -4.684 -2.423 1.00 0.00 H new ATOM 261 N ILE A 17 -2.550 -5.129 -4.837 1.00 0.00 N ATOM 262 CA ILE A 17 -1.419 -4.672 -5.693 1.00 0.00 C ATOM 263 C ILE A 17 -1.584 -5.231 -7.108 1.00 0.00 C ATOM 264 O ILE A 17 -1.468 -4.517 -8.079 1.00 0.00 O ATOM 265 CB ILE A 17 -0.101 -5.187 -5.084 1.00 0.00 C ATOM 266 CG1 ILE A 17 0.130 -4.517 -3.714 1.00 0.00 C ATOM 267 CG2 ILE A 17 1.086 -4.864 -6.019 1.00 0.00 C ATOM 268 CD1 ILE A 17 1.238 -5.260 -2.959 1.00 0.00 C ATOM 0 H ILE A 17 -2.285 -5.702 -4.036 1.00 0.00 H new ATOM 0 HA ILE A 17 -1.407 -3.583 -5.742 1.00 0.00 H new ATOM 0 HB ILE A 17 -0.170 -6.268 -4.960 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.407 -3.472 -3.851 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -0.792 -4.529 -3.132 1.00 0.00 H new ATOM 0 HG21 ILE A 17 2.010 -5.234 -5.575 1.00 0.00 H new ATOM 0 HG22 ILE A 17 0.930 -5.344 -6.985 1.00 0.00 H new ATOM 0 HG23 ILE A 17 1.157 -3.785 -6.158 1.00 0.00 H new ATOM 0 HD11 ILE A 17 1.400 -4.785 -1.991 1.00 0.00 H new ATOM 0 HD12 ILE A 17 0.943 -6.298 -2.809 1.00 0.00 H new ATOM 0 HD13 ILE A 17 2.160 -5.225 -3.539 1.00 0.00 H new ATOM 280 N GLU A 18 -1.850 -6.497 -7.230 1.00 0.00 N ATOM 281 CA GLU A 18 -2.009 -7.096 -8.587 1.00 0.00 C ATOM 282 C GLU A 18 -3.263 -6.527 -9.254 1.00 0.00 C ATOM 283 O GLU A 18 -3.379 -6.502 -10.464 1.00 0.00 O ATOM 284 CB GLU A 18 -2.127 -8.618 -8.458 1.00 0.00 C ATOM 285 CG GLU A 18 -0.824 -9.195 -7.880 1.00 0.00 C ATOM 286 CD GLU A 18 0.319 -9.028 -8.887 1.00 0.00 C ATOM 287 OE1 GLU A 18 0.028 -8.870 -10.063 1.00 0.00 O ATOM 288 OE2 GLU A 18 1.462 -9.064 -8.467 1.00 0.00 O ATOM 0 H GLU A 18 -1.965 -7.146 -6.452 1.00 0.00 H new ATOM 0 HA GLU A 18 -1.141 -6.854 -9.200 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -2.967 -8.873 -7.811 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -2.330 -9.060 -9.433 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.575 -8.688 -6.948 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -0.958 -10.250 -7.643 1.00 0.00 H new ATOM 295 N ALA A 19 -4.214 -6.081 -8.477 1.00 0.00 N ATOM 296 CA ALA A 19 -5.470 -5.522 -9.065 1.00 0.00 C ATOM 297 C ALA A 19 -5.237 -4.096 -9.576 1.00 0.00 C ATOM 298 O ALA A 19 -5.851 -3.680 -10.539 1.00 0.00 O ATOM 299 CB ALA A 19 -6.574 -5.506 -8.003 1.00 0.00 C ATOM 0 H ALA A 19 -4.176 -6.079 -7.458 1.00 0.00 H new ATOM 0 HA ALA A 19 -5.772 -6.152 -9.902 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -7.488 -5.098 -8.435 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -6.759 -6.522 -7.655 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -6.261 -4.886 -7.163 1.00 0.00 H new ATOM 305 N VAL A 20 -4.372 -3.335 -8.935 1.00 0.00 N ATOM 306 CA VAL A 20 -4.106 -1.916 -9.375 1.00 0.00 C ATOM 307 C VAL A 20 -2.715 -1.818 -10.014 1.00 0.00 C ATOM 308 O VAL A 20 -2.301 -0.763 -10.454 1.00 0.00 O ATOM 309 CB VAL A 20 -4.205 -0.974 -8.158 1.00 0.00 C ATOM 310 CG1 VAL A 20 -5.514 -1.254 -7.412 1.00 0.00 C ATOM 311 CG2 VAL A 20 -3.013 -1.184 -7.210 1.00 0.00 C ATOM 0 H VAL A 20 -3.835 -3.636 -8.122 1.00 0.00 H new ATOM 0 HA VAL A 20 -4.849 -1.620 -10.115 1.00 0.00 H new ATOM 0 HB VAL A 20 -4.189 0.059 -8.507 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -5.590 -0.591 -6.550 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -6.358 -1.080 -8.080 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -5.526 -2.290 -7.075 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -3.102 -0.510 -6.358 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -3.006 -2.215 -6.857 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.084 -0.976 -7.742 1.00 0.00 H new ATOM 321 N ALA A 21 -1.988 -2.907 -10.080 1.00 0.00 N ATOM 322 CA ALA A 21 -0.630 -2.863 -10.709 1.00 0.00 C ATOM 323 C ALA A 21 -0.785 -2.705 -12.224 1.00 0.00 C ATOM 324 O ALA A 21 0.138 -2.946 -12.972 1.00 0.00 O ATOM 325 CB ALA A 21 0.144 -4.154 -10.401 1.00 0.00 C ATOM 0 H ALA A 21 -2.274 -3.820 -9.727 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.074 -2.018 -10.302 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.129 -4.107 -10.865 1.00 0.00 H new ATOM 0 HB2 ALA A 21 0.256 -4.263 -9.322 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.403 -5.010 -10.797 1.00 0.00 H new ATOM 331 N ARG A 22 -1.952 -2.316 -12.694 1.00 0.00 N ATOM 332 CA ARG A 22 -2.158 -2.159 -14.171 1.00 0.00 C ATOM 333 C ARG A 22 -1.018 -1.338 -14.786 1.00 0.00 C ATOM 334 O ARG A 22 -0.845 -1.298 -15.986 1.00 0.00 O ATOM 335 CB ARG A 22 -3.504 -1.454 -14.430 1.00 0.00 C ATOM 336 CG ARG A 22 -4.649 -2.406 -14.079 1.00 0.00 C ATOM 337 CD ARG A 22 -6.018 -1.703 -14.235 1.00 0.00 C ATOM 338 NE ARG A 22 -5.965 -0.638 -15.295 1.00 0.00 N ATOM 339 CZ ARG A 22 -7.085 -0.191 -15.828 1.00 0.00 C ATOM 340 NH1 ARG A 22 -8.188 -0.875 -15.710 1.00 0.00 N ATOM 341 NH2 ARG A 22 -7.103 0.923 -16.504 1.00 0.00 N ATOM 0 H ARG A 22 -2.767 -2.102 -12.119 1.00 0.00 H new ATOM 0 HA ARG A 22 -2.166 -3.146 -14.633 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -3.574 -0.546 -13.830 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -3.574 -1.152 -15.475 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -4.610 -3.283 -14.726 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -4.532 -2.760 -13.055 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -6.780 -2.438 -14.493 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -6.312 -1.259 -13.284 1.00 0.00 H new ATOM 0 HE ARG A 22 -5.067 -0.263 -15.600 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -8.187 -1.760 -15.203 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -9.052 -0.525 -16.124 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -6.244 1.460 -16.626 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -7.976 1.258 -16.911 1.00 0.00 H new ATOM 355 N ASP A 23 -0.232 -0.701 -13.970 1.00 0.00 N ATOM 356 CA ASP A 23 0.911 0.101 -14.494 1.00 0.00 C ATOM 357 C ASP A 23 2.023 -0.844 -14.958 1.00 0.00 C ATOM 358 O ASP A 23 3.016 -0.422 -15.517 1.00 0.00 O ATOM 359 CB ASP A 23 1.434 1.017 -13.386 1.00 0.00 C ATOM 360 CG ASP A 23 1.736 0.197 -12.130 1.00 0.00 C ATOM 361 OD1 ASP A 23 1.816 -1.016 -12.237 1.00 0.00 O ATOM 362 OD2 ASP A 23 1.881 0.800 -11.080 1.00 0.00 O ATOM 0 H ASP A 23 -0.330 -0.699 -12.955 1.00 0.00 H new ATOM 0 HA ASP A 23 0.582 0.708 -15.337 1.00 0.00 H new ATOM 0 HB2 ASP A 23 2.336 1.529 -13.722 1.00 0.00 H new ATOM 0 HB3 ASP A 23 0.696 1.786 -13.160 1.00 0.00 H new ATOM 367 N SER A 24 1.862 -2.121 -14.723 1.00 0.00 N ATOM 368 CA SER A 24 2.901 -3.107 -15.141 1.00 0.00 C ATOM 369 C SER A 24 4.157 -2.909 -14.285 1.00 0.00 C ATOM 370 O SER A 24 5.268 -2.971 -14.768 1.00 0.00 O ATOM 371 CB SER A 24 3.237 -2.917 -16.633 1.00 0.00 C ATOM 372 OG SER A 24 4.318 -2.003 -16.771 1.00 0.00 O ATOM 0 H SER A 24 1.050 -2.525 -14.256 1.00 0.00 H new ATOM 0 HA SER A 24 2.523 -4.119 -14.997 1.00 0.00 H new ATOM 0 HB2 SER A 24 3.500 -3.875 -17.081 1.00 0.00 H new ATOM 0 HB3 SER A 24 2.363 -2.544 -17.167 1.00 0.00 H new ATOM 0 HG SER A 24 3.989 -1.087 -16.653 1.00 0.00 H new ATOM 378 N GLY A 25 3.983 -2.667 -13.013 1.00 0.00 N ATOM 379 CA GLY A 25 5.165 -2.464 -12.130 1.00 0.00 C ATOM 380 C GLY A 25 4.701 -2.205 -10.696 1.00 0.00 C ATOM 381 O GLY A 25 3.777 -2.824 -10.208 1.00 0.00 O ATOM 0 H GLY A 25 3.077 -2.602 -12.550 1.00 0.00 H new ATOM 0 HA2 GLY A 25 5.809 -3.343 -12.161 1.00 0.00 H new ATOM 0 HA3 GLY A 25 5.758 -1.622 -12.488 1.00 0.00 H new ATOM 385 N TRP A 26 5.353 -1.302 -10.019 1.00 0.00 N ATOM 386 CA TRP A 26 4.980 -0.989 -8.609 1.00 0.00 C ATOM 387 C TRP A 26 3.493 -0.623 -8.527 1.00 0.00 C ATOM 388 O TRP A 26 2.749 -0.779 -9.474 1.00 0.00 O ATOM 389 CB TRP A 26 5.813 0.200 -8.121 1.00 0.00 C ATOM 390 CG TRP A 26 7.261 -0.175 -8.090 1.00 0.00 C ATOM 391 CD1 TRP A 26 8.074 -0.223 -9.171 1.00 0.00 C ATOM 392 CD2 TRP A 26 8.082 -0.538 -6.944 1.00 0.00 C ATOM 393 NE1 TRP A 26 9.340 -0.601 -8.761 1.00 0.00 N ATOM 394 CE2 TRP A 26 9.396 -0.805 -7.397 1.00 0.00 C ATOM 395 CE3 TRP A 26 7.817 -0.664 -5.568 1.00 0.00 C ATOM 396 CZ2 TRP A 26 10.411 -1.182 -6.516 1.00 0.00 C ATOM 397 CZ3 TRP A 26 8.837 -1.043 -4.678 1.00 0.00 C ATOM 398 CH2 TRP A 26 10.131 -1.302 -5.152 1.00 0.00 C ATOM 0 H TRP A 26 6.137 -0.761 -10.385 1.00 0.00 H new ATOM 0 HA TRP A 26 5.171 -1.863 -7.987 1.00 0.00 H new ATOM 0 HB2 TRP A 26 5.663 1.055 -8.780 1.00 0.00 H new ATOM 0 HB3 TRP A 26 5.485 0.502 -7.127 1.00 0.00 H new ATOM 0 HD1 TRP A 26 7.782 -0.002 -10.187 1.00 0.00 H new ATOM 0 HE1 TRP A 26 10.135 -0.715 -9.390 1.00 0.00 H new ATOM 0 HE3 TRP A 26 6.823 -0.468 -5.193 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 11.406 -1.380 -6.886 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 8.623 -1.135 -3.623 1.00 0.00 H new ATOM 0 HH2 TRP A 26 10.910 -1.594 -4.464 1.00 0.00 H new ATOM 409 N ALA A 27 3.055 -0.135 -7.392 1.00 0.00 N ATOM 410 CA ALA A 27 1.615 0.244 -7.229 1.00 0.00 C ATOM 411 C ALA A 27 1.511 1.376 -6.197 1.00 0.00 C ATOM 412 O ALA A 27 2.192 1.376 -5.192 1.00 0.00 O ATOM 413 CB ALA A 27 0.833 -0.982 -6.737 1.00 0.00 C ATOM 0 H ALA A 27 3.635 0.018 -6.567 1.00 0.00 H new ATOM 0 HA ALA A 27 1.202 0.582 -8.179 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -0.218 -0.718 -6.614 1.00 0.00 H new ATOM 0 HB2 ALA A 27 0.922 -1.787 -7.466 1.00 0.00 H new ATOM 0 HB3 ALA A 27 1.238 -1.312 -5.780 1.00 0.00 H new ATOM 419 N GLU A 28 0.663 2.340 -6.440 1.00 0.00 N ATOM 420 CA GLU A 28 0.518 3.466 -5.473 1.00 0.00 C ATOM 421 C GLU A 28 -0.157 2.955 -4.197 1.00 0.00 C ATOM 422 O GLU A 28 -1.196 2.324 -4.240 1.00 0.00 O ATOM 423 CB GLU A 28 -0.338 4.570 -6.108 1.00 0.00 C ATOM 424 CG GLU A 28 -0.348 5.823 -5.216 1.00 0.00 C ATOM 425 CD GLU A 28 1.030 6.496 -5.237 1.00 0.00 C ATOM 426 OE1 GLU A 28 1.859 6.092 -6.037 1.00 0.00 O ATOM 427 OE2 GLU A 28 1.228 7.412 -4.457 1.00 0.00 O ATOM 0 H GLU A 28 0.066 2.396 -7.265 1.00 0.00 H new ATOM 0 HA GLU A 28 1.500 3.868 -5.224 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.054 4.821 -7.094 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -1.357 4.211 -6.252 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.108 6.522 -5.566 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -0.612 5.550 -4.194 1.00 0.00 H new ATOM 434 N LEU A 29 0.435 3.213 -3.065 1.00 0.00 N ATOM 435 CA LEU A 29 -0.152 2.734 -1.782 1.00 0.00 C ATOM 436 C LEU A 29 -1.556 3.325 -1.619 1.00 0.00 C ATOM 437 O LEU A 29 -2.463 2.666 -1.153 1.00 0.00 O ATOM 438 CB LEU A 29 0.737 3.186 -0.610 1.00 0.00 C ATOM 439 CG LEU A 29 0.262 2.545 0.716 1.00 0.00 C ATOM 440 CD1 LEU A 29 0.467 1.006 0.700 1.00 0.00 C ATOM 441 CD2 LEU A 29 1.048 3.167 1.880 1.00 0.00 C ATOM 0 H LEU A 29 1.305 3.738 -2.972 1.00 0.00 H new ATOM 0 HA LEU A 29 -0.212 1.646 -1.790 1.00 0.00 H new ATOM 0 HB2 LEU A 29 1.773 2.907 -0.804 1.00 0.00 H new ATOM 0 HB3 LEU A 29 0.710 4.272 -0.525 1.00 0.00 H new ATOM 0 HG LEU A 29 -0.804 2.738 0.839 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.124 0.583 1.645 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.104 0.571 -0.120 1.00 0.00 H new ATOM 0 HD13 LEU A 29 1.525 0.781 0.565 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.720 2.722 2.819 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.113 2.979 1.741 1.00 0.00 H new ATOM 0 HD23 LEU A 29 0.869 4.242 1.906 1.00 0.00 H new ATOM 453 N SER A 30 -1.747 4.561 -1.989 1.00 0.00 N ATOM 454 CA SER A 30 -3.097 5.181 -1.844 1.00 0.00 C ATOM 455 C SER A 30 -4.133 4.323 -2.579 1.00 0.00 C ATOM 456 O SER A 30 -5.206 4.060 -2.075 1.00 0.00 O ATOM 457 CB SER A 30 -3.073 6.581 -2.457 1.00 0.00 C ATOM 458 OG SER A 30 -2.137 7.387 -1.753 1.00 0.00 O ATOM 0 H SER A 30 -1.030 5.168 -2.385 1.00 0.00 H new ATOM 0 HA SER A 30 -3.361 5.245 -0.788 1.00 0.00 H new ATOM 0 HB2 SER A 30 -2.801 6.524 -3.511 1.00 0.00 H new ATOM 0 HB3 SER A 30 -4.065 7.029 -2.408 1.00 0.00 H new ATOM 0 HG SER A 30 -2.118 8.285 -2.145 1.00 0.00 H new ATOM 464 N ALA A 31 -3.813 3.879 -3.763 1.00 0.00 N ATOM 465 CA ALA A 31 -4.779 3.030 -4.521 1.00 0.00 C ATOM 466 C ALA A 31 -4.986 1.714 -3.773 1.00 0.00 C ATOM 467 O ALA A 31 -6.078 1.179 -3.724 1.00 0.00 O ATOM 468 CB ALA A 31 -4.224 2.740 -5.919 1.00 0.00 C ATOM 0 H ALA A 31 -2.930 4.065 -4.238 1.00 0.00 H new ATOM 0 HA ALA A 31 -5.730 3.554 -4.613 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.931 2.120 -6.470 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -4.072 3.679 -6.452 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -3.273 2.215 -5.831 1.00 0.00 H new ATOM 474 N VAL A 32 -3.944 1.181 -3.192 1.00 0.00 N ATOM 475 CA VAL A 32 -4.079 -0.108 -2.453 1.00 0.00 C ATOM 476 C VAL A 32 -5.036 0.072 -1.268 1.00 0.00 C ATOM 477 O VAL A 32 -5.934 -0.720 -1.059 1.00 0.00 O ATOM 478 CB VAL A 32 -2.689 -0.539 -1.947 1.00 0.00 C ATOM 479 CG1 VAL A 32 -2.804 -1.769 -1.029 1.00 0.00 C ATOM 480 CG2 VAL A 32 -1.799 -0.881 -3.150 1.00 0.00 C ATOM 0 H VAL A 32 -3.006 1.582 -3.197 1.00 0.00 H new ATOM 0 HA VAL A 32 -4.482 -0.875 -3.115 1.00 0.00 H new ATOM 0 HB VAL A 32 -2.251 0.281 -1.378 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -1.812 -2.058 -0.682 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -3.432 -1.526 -0.172 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -3.250 -2.596 -1.582 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -0.814 -1.187 -2.798 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -2.251 -1.695 -3.717 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -1.700 -0.004 -3.790 1.00 0.00 H new ATOM 490 N GLY A 33 -4.844 1.097 -0.485 1.00 0.00 N ATOM 491 CA GLY A 33 -5.736 1.308 0.692 1.00 0.00 C ATOM 492 C GLY A 33 -7.176 1.525 0.224 1.00 0.00 C ATOM 493 O GLY A 33 -8.107 0.964 0.768 1.00 0.00 O ATOM 0 H GLY A 33 -4.111 1.796 -0.607 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -5.687 0.445 1.356 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -5.397 2.171 1.266 1.00 0.00 H new ATOM 497 N SER A 34 -7.368 2.334 -0.781 1.00 0.00 N ATOM 498 CA SER A 34 -8.749 2.582 -1.283 1.00 0.00 C ATOM 499 C SER A 34 -9.352 1.280 -1.819 1.00 0.00 C ATOM 500 O SER A 34 -10.489 0.953 -1.546 1.00 0.00 O ATOM 501 CB SER A 34 -8.709 3.620 -2.409 1.00 0.00 C ATOM 502 OG SER A 34 -9.969 3.647 -3.069 1.00 0.00 O ATOM 0 H SER A 34 -6.629 2.834 -1.276 1.00 0.00 H new ATOM 0 HA SER A 34 -9.362 2.954 -0.462 1.00 0.00 H new ATOM 0 HB2 SER A 34 -8.477 4.605 -2.003 1.00 0.00 H new ATOM 0 HB3 SER A 34 -7.919 3.373 -3.119 1.00 0.00 H new ATOM 0 HG SER A 34 -9.947 4.311 -3.789 1.00 0.00 H new ATOM 508 N TYR A 35 -8.604 0.534 -2.585 1.00 0.00 N ATOM 509 CA TYR A 35 -9.144 -0.739 -3.141 1.00 0.00 C ATOM 510 C TYR A 35 -9.517 -1.679 -1.992 1.00 0.00 C ATOM 511 O TYR A 35 -10.599 -2.233 -1.954 1.00 0.00 O ATOM 512 CB TYR A 35 -8.072 -1.403 -4.019 1.00 0.00 C ATOM 513 CG TYR A 35 -8.570 -2.740 -4.537 1.00 0.00 C ATOM 514 CD1 TYR A 35 -9.366 -2.789 -5.688 1.00 0.00 C ATOM 515 CD2 TYR A 35 -8.235 -3.928 -3.871 1.00 0.00 C ATOM 516 CE1 TYR A 35 -9.828 -4.018 -6.172 1.00 0.00 C ATOM 517 CE2 TYR A 35 -8.697 -5.158 -4.355 1.00 0.00 C ATOM 518 CZ TYR A 35 -9.493 -5.203 -5.506 1.00 0.00 C ATOM 519 OH TYR A 35 -9.948 -6.416 -5.981 1.00 0.00 O ATOM 0 H TYR A 35 -7.643 0.751 -2.850 1.00 0.00 H new ATOM 0 HA TYR A 35 -10.030 -0.530 -3.741 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -7.823 -0.751 -4.856 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -7.158 -1.546 -3.443 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -9.624 -1.876 -6.204 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -7.620 -3.894 -2.984 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -10.443 -4.052 -7.059 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -8.439 -6.072 -3.841 1.00 0.00 H new ATOM 0 HH TYR A 35 -9.623 -7.137 -5.402 1.00 0.00 H new ATOM 529 N LEU A 36 -8.634 -1.857 -1.052 1.00 0.00 N ATOM 530 CA LEU A 36 -8.940 -2.757 0.093 1.00 0.00 C ATOM 531 C LEU A 36 -10.092 -2.166 0.903 1.00 0.00 C ATOM 532 O LEU A 36 -10.974 -2.873 1.339 1.00 0.00 O ATOM 533 CB LEU A 36 -7.699 -2.906 0.984 1.00 0.00 C ATOM 534 CG LEU A 36 -6.598 -3.688 0.232 1.00 0.00 C ATOM 535 CD1 LEU A 36 -5.293 -3.630 1.037 1.00 0.00 C ATOM 536 CD2 LEU A 36 -7.011 -5.166 -0.006 1.00 0.00 C ATOM 0 H LEU A 36 -7.713 -1.418 -1.027 1.00 0.00 H new ATOM 0 HA LEU A 36 -9.225 -3.740 -0.282 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -7.327 -1.922 1.270 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -7.963 -3.427 1.904 1.00 0.00 H new ATOM 0 HG LEU A 36 -6.453 -3.224 -0.744 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -4.515 -4.181 0.509 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -4.985 -2.591 1.156 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -5.451 -4.077 2.019 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -6.213 -5.686 -0.537 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -7.186 -5.654 0.953 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -7.924 -5.197 -0.601 1.00 0.00 H new ATOM 548 N ALA A 37 -10.100 -0.880 1.114 1.00 0.00 N ATOM 549 CA ALA A 37 -11.206 -0.270 1.908 1.00 0.00 C ATOM 550 C ALA A 37 -12.554 -0.620 1.267 1.00 0.00 C ATOM 551 O ALA A 37 -13.490 -1.001 1.941 1.00 0.00 O ATOM 552 CB ALA A 37 -11.035 1.251 1.949 1.00 0.00 C ATOM 0 H ALA A 37 -9.394 -0.227 0.774 1.00 0.00 H new ATOM 0 HA ALA A 37 -11.177 -0.662 2.925 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -11.845 1.693 2.530 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -10.080 1.497 2.413 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -11.059 1.647 0.934 1.00 0.00 H new ATOM 558 N LYS A 38 -12.659 -0.491 -0.026 1.00 0.00 N ATOM 559 CA LYS A 38 -13.945 -0.816 -0.712 1.00 0.00 C ATOM 560 C LYS A 38 -14.257 -2.310 -0.566 1.00 0.00 C ATOM 561 O LYS A 38 -15.384 -2.698 -0.329 1.00 0.00 O ATOM 562 CB LYS A 38 -13.827 -0.465 -2.198 1.00 0.00 C ATOM 563 CG LYS A 38 -13.702 1.053 -2.361 1.00 0.00 C ATOM 564 CD LYS A 38 -13.533 1.395 -3.843 1.00 0.00 C ATOM 565 CE LYS A 38 -13.409 2.911 -4.006 1.00 0.00 C ATOM 566 NZ LYS A 38 -13.225 3.242 -5.448 1.00 0.00 N ATOM 0 H LYS A 38 -11.909 -0.174 -0.640 1.00 0.00 H new ATOM 0 HA LYS A 38 -14.749 -0.238 -0.257 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -12.957 -0.960 -2.631 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -14.702 -0.828 -2.738 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -14.588 1.546 -1.962 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -12.848 1.421 -1.792 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -12.647 0.902 -4.242 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -14.386 1.026 -4.412 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -14.302 3.403 -3.620 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -12.564 3.282 -3.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -13.141 4.273 -5.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -12.361 2.784 -5.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -14.045 2.901 -5.990 1.00 0.00 H new ATOM 580 N ASN A 39 -13.270 -3.155 -0.719 1.00 0.00 N ATOM 581 CA ASN A 39 -13.502 -4.631 -0.605 1.00 0.00 C ATOM 582 C ASN A 39 -13.388 -5.059 0.859 1.00 0.00 C ATOM 583 O ASN A 39 -13.609 -6.204 1.202 1.00 0.00 O ATOM 584 CB ASN A 39 -12.447 -5.372 -1.429 1.00 0.00 C ATOM 585 CG ASN A 39 -12.625 -5.038 -2.911 1.00 0.00 C ATOM 586 OD1 ASN A 39 -13.827 -4.873 -3.391 1.00 0.00 O flip ATOM 587 ND2 ASN A 39 -11.661 -4.930 -3.639 1.00 0.00 N flip ATOM 0 H ASN A 39 -12.307 -2.887 -0.919 1.00 0.00 H new ATOM 0 HA ASN A 39 -14.498 -4.871 -0.976 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -11.448 -5.087 -1.099 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -12.540 -6.447 -1.275 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -10.721 -5.059 -3.264 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -11.790 -4.710 -4.627 1.00 0.00 H new ATOM 594 N ASP A 40 -13.032 -4.146 1.721 1.00 0.00 N ATOM 595 CA ASP A 40 -12.883 -4.472 3.175 1.00 0.00 C ATOM 596 C ASP A 40 -13.097 -3.189 3.991 1.00 0.00 C ATOM 597 O ASP A 40 -12.187 -2.717 4.645 1.00 0.00 O ATOM 598 CB ASP A 40 -11.468 -5.004 3.436 1.00 0.00 C ATOM 599 CG ASP A 40 -11.151 -6.122 2.446 1.00 0.00 C ATOM 600 OD1 ASP A 40 -11.682 -7.207 2.617 1.00 0.00 O ATOM 601 OD2 ASP A 40 -10.380 -5.874 1.534 1.00 0.00 O ATOM 0 H ASP A 40 -12.835 -3.175 1.480 1.00 0.00 H new ATOM 0 HA ASP A 40 -13.614 -5.228 3.463 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -10.741 -4.198 3.335 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -11.391 -5.376 4.458 1.00 0.00 H new ATOM 606 N PRO A 41 -14.277 -2.609 3.950 1.00 0.00 N ATOM 607 CA PRO A 41 -14.558 -1.348 4.696 1.00 0.00 C ATOM 608 C PRO A 41 -14.232 -1.483 6.190 1.00 0.00 C ATOM 609 O PRO A 41 -13.563 -2.407 6.607 1.00 0.00 O ATOM 610 CB PRO A 41 -16.065 -1.073 4.438 1.00 0.00 C ATOM 611 CG PRO A 41 -16.624 -2.370 3.915 1.00 0.00 C ATOM 612 CD PRO A 41 -15.464 -3.071 3.202 1.00 0.00 C ATOM 0 HA PRO A 41 -13.934 -0.520 4.360 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -16.571 -0.768 5.354 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -16.199 -0.268 3.716 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -17.011 -2.984 4.728 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -17.452 -2.190 3.229 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -15.566 -4.156 3.239 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -15.411 -2.791 2.150 1.00 0.00 H new ATOM 620 N SER A 42 -14.678 -0.549 6.987 1.00 0.00 N ATOM 621 CA SER A 42 -14.377 -0.592 8.451 1.00 0.00 C ATOM 622 C SER A 42 -12.878 -0.318 8.658 1.00 0.00 C ATOM 623 O SER A 42 -12.411 -0.187 9.772 1.00 0.00 O ATOM 624 CB SER A 42 -14.759 -1.969 9.036 1.00 0.00 C ATOM 625 OG SER A 42 -15.128 -1.811 10.400 1.00 0.00 O ATOM 0 H SER A 42 -15.241 0.247 6.687 1.00 0.00 H new ATOM 0 HA SER A 42 -14.961 0.169 8.968 1.00 0.00 H new ATOM 0 HB2 SER A 42 -15.585 -2.401 8.471 1.00 0.00 H new ATOM 0 HB3 SER A 42 -13.919 -2.659 8.951 1.00 0.00 H new ATOM 0 HG SER A 42 -15.373 -2.682 10.776 1.00 0.00 H new ATOM 631 N PHE A 43 -12.123 -0.228 7.589 1.00 0.00 N ATOM 632 CA PHE A 43 -10.658 0.041 7.726 1.00 0.00 C ATOM 633 C PHE A 43 -10.458 1.537 8.025 1.00 0.00 C ATOM 634 O PHE A 43 -11.079 2.386 7.416 1.00 0.00 O ATOM 635 CB PHE A 43 -9.934 -0.359 6.413 1.00 0.00 C ATOM 636 CG PHE A 43 -8.514 -0.834 6.714 1.00 0.00 C ATOM 637 CD1 PHE A 43 -7.569 0.071 7.215 1.00 0.00 C ATOM 638 CD2 PHE A 43 -8.147 -2.175 6.498 1.00 0.00 C ATOM 639 CE1 PHE A 43 -6.268 -0.361 7.507 1.00 0.00 C ATOM 640 CE2 PHE A 43 -6.847 -2.603 6.788 1.00 0.00 C ATOM 641 CZ PHE A 43 -5.906 -1.695 7.289 1.00 0.00 C ATOM 0 H PHE A 43 -12.458 -0.329 6.631 1.00 0.00 H new ATOM 0 HA PHE A 43 -10.238 -0.546 8.542 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -10.490 -1.150 5.909 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -9.903 0.492 5.733 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -7.843 1.103 7.376 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -8.870 -2.875 6.107 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -5.544 0.337 7.901 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -6.569 -3.634 6.625 1.00 0.00 H new ATOM 0 HZ PHE A 43 -4.901 -2.024 7.507 1.00 0.00 H new ATOM 651 N ASP A 44 -9.603 1.853 8.964 1.00 0.00 N ATOM 652 CA ASP A 44 -9.338 3.284 9.341 1.00 0.00 C ATOM 653 C ASP A 44 -7.834 3.566 9.201 1.00 0.00 C ATOM 654 O ASP A 44 -7.103 3.483 10.167 1.00 0.00 O ATOM 655 CB ASP A 44 -9.741 3.487 10.803 1.00 0.00 C ATOM 656 CG ASP A 44 -11.242 3.253 10.960 1.00 0.00 C ATOM 657 OD1 ASP A 44 -11.997 3.833 10.194 1.00 0.00 O ATOM 658 OD2 ASP A 44 -11.613 2.497 11.839 1.00 0.00 O ATOM 0 H ASP A 44 -9.065 1.170 9.498 1.00 0.00 H new ATOM 0 HA ASP A 44 -9.906 3.953 8.695 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -9.187 2.799 11.442 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -9.485 4.497 11.124 1.00 0.00 H new ATOM 663 N PRO A 45 -7.366 3.897 8.015 1.00 0.00 N ATOM 664 CA PRO A 45 -5.913 4.184 7.789 1.00 0.00 C ATOM 665 C PRO A 45 -5.468 5.400 8.610 1.00 0.00 C ATOM 666 O PRO A 45 -4.319 5.561 8.966 1.00 0.00 O ATOM 667 CB PRO A 45 -5.803 4.453 6.259 1.00 0.00 C ATOM 668 CG PRO A 45 -7.108 3.986 5.661 1.00 0.00 C ATOM 669 CD PRO A 45 -8.154 4.050 6.781 1.00 0.00 C ATOM 0 HA PRO A 45 -5.268 3.363 8.103 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -5.639 5.512 6.060 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -4.960 3.913 5.827 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -7.399 4.620 4.823 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -7.016 2.971 5.275 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -8.695 4.996 6.768 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -8.895 3.257 6.680 1.00 0.00 H new ATOM 677 N ARG A 46 -6.400 6.239 8.909 1.00 0.00 N ATOM 678 CA ARG A 46 -6.112 7.455 9.701 1.00 0.00 C ATOM 679 C ARG A 46 -5.703 7.067 11.123 1.00 0.00 C ATOM 680 O ARG A 46 -4.842 7.681 11.720 1.00 0.00 O ATOM 681 CB ARG A 46 -7.382 8.296 9.708 1.00 0.00 C ATOM 682 CG ARG A 46 -7.747 8.714 8.260 1.00 0.00 C ATOM 683 CD ARG A 46 -6.737 9.741 7.708 1.00 0.00 C ATOM 684 NE ARG A 46 -6.504 10.769 8.767 1.00 0.00 N ATOM 685 CZ ARG A 46 -7.372 11.738 8.946 1.00 0.00 C ATOM 686 NH1 ARG A 46 -8.116 12.170 7.957 1.00 0.00 N ATOM 687 NH2 ARG A 46 -7.431 12.345 10.105 1.00 0.00 N ATOM 0 H ARG A 46 -7.376 6.134 8.632 1.00 0.00 H new ATOM 0 HA ARG A 46 -5.288 8.022 9.269 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -8.202 7.729 10.149 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -7.238 9.182 10.326 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -7.764 7.834 7.617 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -8.750 9.140 8.243 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -5.801 9.250 7.440 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -7.123 10.207 6.802 1.00 0.00 H new ATOM 0 HE ARG A 46 -5.670 10.718 9.352 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -8.026 11.752 7.031 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -8.785 12.924 8.114 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -6.806 12.064 10.860 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -8.102 13.099 10.252 1.00 0.00 H new ATOM 701 N ASN A 47 -6.319 6.064 11.667 1.00 0.00 N ATOM 702 CA ASN A 47 -5.972 5.642 13.054 1.00 0.00 C ATOM 703 C ASN A 47 -4.470 5.348 13.154 1.00 0.00 C ATOM 704 O ASN A 47 -3.951 5.119 14.230 1.00 0.00 O ATOM 705 CB ASN A 47 -6.760 4.377 13.412 1.00 0.00 C ATOM 706 CG ASN A 47 -8.256 4.699 13.522 1.00 0.00 C ATOM 707 OD1 ASN A 47 -9.070 3.807 13.643 1.00 0.00 O ATOM 708 ND2 ASN A 47 -8.654 5.941 13.479 1.00 0.00 N ATOM 0 H ASN A 47 -7.049 5.514 11.215 1.00 0.00 H new ATOM 0 HA ASN A 47 -6.226 6.445 13.745 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -6.600 3.613 12.652 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -6.398 3.969 14.356 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -9.648 6.161 13.547 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -7.971 6.692 13.377 1.00 0.00 H new ATOM 715 N TRP A 48 -3.765 5.349 12.047 1.00 0.00 N ATOM 716 CA TRP A 48 -2.288 5.069 12.074 1.00 0.00 C ATOM 717 C TRP A 48 -1.515 6.389 12.070 1.00 0.00 C ATOM 718 O TRP A 48 -0.344 6.431 12.384 1.00 0.00 O ATOM 719 CB TRP A 48 -1.918 4.271 10.826 1.00 0.00 C ATOM 720 CG TRP A 48 -2.593 2.938 10.872 1.00 0.00 C ATOM 721 CD1 TRP A 48 -3.902 2.723 10.615 1.00 0.00 C ATOM 722 CD2 TRP A 48 -2.017 1.639 11.185 1.00 0.00 C ATOM 723 NE1 TRP A 48 -4.168 1.373 10.754 1.00 0.00 N ATOM 724 CE2 TRP A 48 -3.037 0.661 11.104 1.00 0.00 C ATOM 725 CE3 TRP A 48 -0.721 1.217 11.531 1.00 0.00 C ATOM 726 CZ2 TRP A 48 -2.779 -0.687 11.355 1.00 0.00 C ATOM 727 CZ3 TRP A 48 -0.457 -0.138 11.783 1.00 0.00 C ATOM 728 CH2 TRP A 48 -1.484 -1.088 11.696 1.00 0.00 C ATOM 0 H TRP A 48 -4.149 5.532 11.120 1.00 0.00 H new ATOM 0 HA TRP A 48 -2.036 4.505 12.972 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -2.221 4.814 9.931 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -0.837 4.142 10.770 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -4.622 3.481 10.345 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -5.087 0.954 10.615 1.00 0.00 H new ATOM 0 HE3 TRP A 48 0.077 1.941 11.603 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -3.574 -1.415 11.286 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 0.543 -0.451 12.045 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -1.275 -2.129 11.892 1.00 0.00 H new ATOM 739 N GLY A 49 -2.172 7.466 11.730 1.00 0.00 N ATOM 740 CA GLY A 49 -1.494 8.799 11.710 1.00 0.00 C ATOM 741 C GLY A 49 -0.174 8.731 10.930 1.00 0.00 C ATOM 742 O GLY A 49 0.835 8.281 11.434 1.00 0.00 O ATOM 0 H GLY A 49 -3.156 7.481 11.463 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -2.152 9.539 11.255 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -1.301 9.129 12.731 1.00 0.00 H new ATOM 746 N HIS A 50 -0.170 9.192 9.706 1.00 0.00 N ATOM 747 CA HIS A 50 1.085 9.169 8.892 1.00 0.00 C ATOM 748 C HIS A 50 1.709 7.770 8.909 1.00 0.00 C ATOM 749 O HIS A 50 2.591 7.479 9.692 1.00 0.00 O ATOM 750 CB HIS A 50 2.081 10.174 9.475 1.00 0.00 C ATOM 751 CG HIS A 50 3.311 10.226 8.611 1.00 0.00 C ATOM 752 ND1 HIS A 50 3.325 10.872 7.384 1.00 0.00 N ATOM 753 CD2 HIS A 50 4.576 9.720 8.782 1.00 0.00 C ATOM 754 CE1 HIS A 50 4.562 10.739 6.870 1.00 0.00 C ATOM 755 NE2 HIS A 50 5.363 10.044 7.682 1.00 0.00 N ATOM 0 H HIS A 50 -0.984 9.585 9.233 1.00 0.00 H new ATOM 0 HA HIS A 50 0.844 9.434 7.863 1.00 0.00 H new ATOM 0 HB2 HIS A 50 1.624 11.162 9.534 1.00 0.00 H new ATOM 0 HB3 HIS A 50 2.350 9.886 10.491 1.00 0.00 H new ATOM 0 HD2 HIS A 50 4.909 9.156 9.641 1.00 0.00 H new ATOM 0 HE1 HIS A 50 4.869 11.145 5.917 1.00 0.00 H new ATOM 0 HE2 HIS A 50 6.342 9.803 7.528 1.00 0.00 H new ATOM 763 N GLY A 51 1.256 6.901 8.045 1.00 0.00 N ATOM 764 CA GLY A 51 1.817 5.516 7.999 1.00 0.00 C ATOM 765 C GLY A 51 0.809 4.601 7.309 1.00 0.00 C ATOM 766 O GLY A 51 1.099 3.980 6.305 1.00 0.00 O ATOM 0 H GLY A 51 0.519 7.090 7.366 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.764 5.510 7.459 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.023 5.158 9.008 1.00 0.00 H new ATOM 770 N ARG A 52 -0.383 4.535 7.829 1.00 0.00 N ATOM 771 CA ARG A 52 -1.439 3.684 7.202 1.00 0.00 C ATOM 772 C ARG A 52 -0.883 2.280 6.903 1.00 0.00 C ATOM 773 O ARG A 52 -0.233 1.662 7.727 1.00 0.00 O ATOM 774 CB ARG A 52 -1.875 4.352 5.891 1.00 0.00 C ATOM 775 CG ARG A 52 -2.365 5.770 6.182 1.00 0.00 C ATOM 776 CD ARG A 52 -2.825 6.459 4.890 1.00 0.00 C ATOM 777 NE ARG A 52 -1.805 6.275 3.811 1.00 0.00 N ATOM 778 CZ ARG A 52 -1.822 7.036 2.746 1.00 0.00 C ATOM 779 NH1 ARG A 52 -2.628 8.060 2.676 1.00 0.00 N ATOM 780 NH2 ARG A 52 -1.025 6.774 1.748 1.00 0.00 N ATOM 0 H ARG A 52 -0.676 5.036 8.667 1.00 0.00 H new ATOM 0 HA ARG A 52 -2.286 3.584 7.881 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -1.041 4.380 5.190 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -2.668 3.771 5.420 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -3.188 5.737 6.896 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -1.566 6.349 6.644 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -3.781 6.045 4.570 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -2.983 7.522 5.073 1.00 0.00 H new ATOM 0 HE ARG A 52 -1.092 5.552 3.906 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -3.251 8.273 3.455 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -2.635 8.648 1.842 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -0.390 5.977 1.798 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -1.037 7.366 0.917 1.00 0.00 H new ATOM 794 N LEU A 53 -1.129 1.786 5.721 1.00 0.00 N ATOM 795 CA LEU A 53 -0.623 0.445 5.344 1.00 0.00 C ATOM 796 C LEU A 53 0.908 0.484 5.345 1.00 0.00 C ATOM 797 O LEU A 53 1.554 -0.472 5.709 1.00 0.00 O ATOM 798 CB LEU A 53 -1.143 0.084 3.941 1.00 0.00 C ATOM 799 CG LEU A 53 -2.589 -0.435 4.018 1.00 0.00 C ATOM 800 CD1 LEU A 53 -3.499 0.627 4.658 1.00 0.00 C ATOM 801 CD2 LEU A 53 -3.085 -0.755 2.603 1.00 0.00 C ATOM 0 H LEU A 53 -1.665 2.263 4.996 1.00 0.00 H new ATOM 0 HA LEU A 53 -0.969 -0.307 6.053 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -1.099 0.960 3.294 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.502 -0.675 3.493 1.00 0.00 H new ATOM 0 HG LEU A 53 -2.616 -1.336 4.631 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -4.520 0.249 4.707 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.145 0.850 5.665 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.477 1.535 4.056 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -4.110 -1.123 2.651 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.052 0.148 1.993 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.446 -1.517 2.157 1.00 0.00 H new ATOM 813 N SER A 54 1.486 1.584 4.929 1.00 0.00 N ATOM 814 CA SER A 54 2.981 1.684 4.892 1.00 0.00 C ATOM 815 C SER A 54 3.554 1.233 6.239 1.00 0.00 C ATOM 816 O SER A 54 4.638 0.687 6.316 1.00 0.00 O ATOM 817 CB SER A 54 3.396 3.139 4.623 1.00 0.00 C ATOM 818 OG SER A 54 3.460 3.854 5.852 1.00 0.00 O ATOM 0 H SER A 54 0.989 2.417 4.613 1.00 0.00 H new ATOM 0 HA SER A 54 3.366 1.045 4.097 1.00 0.00 H new ATOM 0 HB2 SER A 54 4.365 3.165 4.125 1.00 0.00 H new ATOM 0 HB3 SER A 54 2.680 3.613 3.952 1.00 0.00 H new ATOM 0 HG SER A 54 2.666 3.652 6.390 1.00 0.00 H new ATOM 824 N GLN A 55 2.826 1.449 7.299 1.00 0.00 N ATOM 825 CA GLN A 55 3.308 1.020 8.644 1.00 0.00 C ATOM 826 C GLN A 55 2.981 -0.469 8.832 1.00 0.00 C ATOM 827 O GLN A 55 3.771 -1.227 9.359 1.00 0.00 O ATOM 828 CB GLN A 55 2.599 1.855 9.720 1.00 0.00 C ATOM 829 CG GLN A 55 3.219 1.591 11.101 1.00 0.00 C ATOM 830 CD GLN A 55 4.640 2.160 11.151 1.00 0.00 C ATOM 831 OE1 GLN A 55 4.895 3.241 10.657 1.00 0.00 O ATOM 832 NE2 GLN A 55 5.583 1.471 11.729 1.00 0.00 N ATOM 0 H GLN A 55 1.914 1.906 7.293 1.00 0.00 H new ATOM 0 HA GLN A 55 4.384 1.169 8.729 1.00 0.00 H new ATOM 0 HB2 GLN A 55 2.677 2.915 9.476 1.00 0.00 H new ATOM 0 HB3 GLN A 55 1.537 1.609 9.738 1.00 0.00 H new ATOM 0 HG2 GLN A 55 2.607 2.049 11.878 1.00 0.00 H new ATOM 0 HG3 GLN A 55 3.239 0.520 11.302 1.00 0.00 H new ATOM 0 HE21 GLN A 55 5.371 0.564 12.144 1.00 0.00 H new ATOM 0 HE22 GLN A 55 6.534 1.839 11.766 1.00 0.00 H new ATOM 841 N MET A 56 1.818 -0.892 8.403 1.00 0.00 N ATOM 842 CA MET A 56 1.440 -2.332 8.556 1.00 0.00 C ATOM 843 C MET A 56 2.412 -3.215 7.759 1.00 0.00 C ATOM 844 O MET A 56 2.895 -4.216 8.246 1.00 0.00 O ATOM 845 CB MET A 56 0.008 -2.539 8.035 1.00 0.00 C ATOM 846 CG MET A 56 -0.472 -3.973 8.313 1.00 0.00 C ATOM 847 SD MET A 56 -0.741 -4.182 10.097 1.00 0.00 S ATOM 848 CE MET A 56 -2.519 -3.840 10.127 1.00 0.00 C ATOM 0 H MET A 56 1.115 -0.305 7.954 1.00 0.00 H new ATOM 0 HA MET A 56 1.490 -2.609 9.609 1.00 0.00 H new ATOM 0 HB2 MET A 56 -0.664 -1.827 8.513 1.00 0.00 H new ATOM 0 HB3 MET A 56 -0.026 -2.340 6.964 1.00 0.00 H new ATOM 0 HG2 MET A 56 -1.395 -4.171 7.769 1.00 0.00 H new ATOM 0 HG3 MET A 56 0.267 -4.691 7.959 1.00 0.00 H new ATOM 0 HE1 MET A 56 -2.837 -3.655 11.153 1.00 0.00 H new ATOM 0 HE2 MET A 56 -2.731 -2.962 9.517 1.00 0.00 H new ATOM 0 HE3 MET A 56 -3.061 -4.698 9.729 1.00 0.00 H new ATOM 858 N VAL A 57 2.687 -2.862 6.533 1.00 0.00 N ATOM 859 CA VAL A 57 3.614 -3.691 5.702 1.00 0.00 C ATOM 860 C VAL A 57 5.014 -3.667 6.316 1.00 0.00 C ATOM 861 O VAL A 57 5.743 -4.637 6.271 1.00 0.00 O ATOM 862 CB VAL A 57 3.661 -3.136 4.269 1.00 0.00 C ATOM 863 CG1 VAL A 57 2.242 -3.110 3.693 1.00 0.00 C ATOM 864 CG2 VAL A 57 4.237 -1.711 4.280 1.00 0.00 C ATOM 0 H VAL A 57 2.311 -2.036 6.068 1.00 0.00 H new ATOM 0 HA VAL A 57 3.253 -4.719 5.674 1.00 0.00 H new ATOM 0 HB VAL A 57 4.297 -3.773 3.654 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.269 -2.717 2.677 1.00 0.00 H new ATOM 0 HG12 VAL A 57 1.836 -4.121 3.680 1.00 0.00 H new ATOM 0 HG13 VAL A 57 1.610 -2.473 4.311 1.00 0.00 H new ATOM 0 HG21 VAL A 57 4.268 -1.323 3.262 1.00 0.00 H new ATOM 0 HG22 VAL A 57 3.606 -1.068 4.894 1.00 0.00 H new ATOM 0 HG23 VAL A 57 5.246 -1.730 4.692 1.00 0.00 H new ATOM 874 N LYS A 58 5.396 -2.555 6.879 1.00 0.00 N ATOM 875 CA LYS A 58 6.754 -2.454 7.485 1.00 0.00 C ATOM 876 C LYS A 58 6.918 -3.538 8.550 1.00 0.00 C ATOM 877 O LYS A 58 7.939 -4.193 8.625 1.00 0.00 O ATOM 878 CB LYS A 58 6.898 -1.072 8.132 1.00 0.00 C ATOM 879 CG LYS A 58 8.322 -0.882 8.659 1.00 0.00 C ATOM 880 CD LYS A 58 8.467 0.534 9.225 1.00 0.00 C ATOM 881 CE LYS A 58 9.898 0.737 9.723 1.00 0.00 C ATOM 882 NZ LYS A 58 10.147 -0.155 10.894 1.00 0.00 N ATOM 0 H LYS A 58 4.827 -1.711 6.946 1.00 0.00 H new ATOM 0 HA LYS A 58 7.518 -2.588 6.719 1.00 0.00 H new ATOM 0 HB2 LYS A 58 6.665 -0.295 7.404 1.00 0.00 H new ATOM 0 HB3 LYS A 58 6.183 -0.968 8.948 1.00 0.00 H new ATOM 0 HG2 LYS A 58 8.537 -1.619 9.433 1.00 0.00 H new ATOM 0 HG3 LYS A 58 9.043 -1.041 7.857 1.00 0.00 H new ATOM 0 HD2 LYS A 58 8.229 1.271 8.457 1.00 0.00 H new ATOM 0 HD3 LYS A 58 7.761 0.685 10.042 1.00 0.00 H new ATOM 0 HE2 LYS A 58 10.607 0.515 8.926 1.00 0.00 H new ATOM 0 HE3 LYS A 58 10.052 1.778 10.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 10.979 0.184 11.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 9.317 -0.146 11.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 10.318 -1.125 10.561 1.00 0.00 H new ATOM 896 N LYS A 59 5.920 -3.755 9.359 1.00 0.00 N ATOM 897 CA LYS A 59 6.026 -4.816 10.397 1.00 0.00 C ATOM 898 C LYS A 59 6.077 -6.189 9.714 1.00 0.00 C ATOM 899 O LYS A 59 6.860 -7.047 10.068 1.00 0.00 O ATOM 900 CB LYS A 59 4.800 -4.737 11.333 1.00 0.00 C ATOM 901 CG LYS A 59 5.050 -5.530 12.644 1.00 0.00 C ATOM 902 CD LYS A 59 5.779 -4.657 13.675 1.00 0.00 C ATOM 903 CE LYS A 59 6.039 -5.475 14.940 1.00 0.00 C ATOM 904 NZ LYS A 59 6.747 -4.627 15.940 1.00 0.00 N ATOM 0 H LYS A 59 5.037 -3.245 9.346 1.00 0.00 H new ATOM 0 HA LYS A 59 6.934 -4.673 10.983 1.00 0.00 H new ATOM 0 HB2 LYS A 59 4.585 -3.695 11.569 1.00 0.00 H new ATOM 0 HB3 LYS A 59 3.923 -5.136 10.824 1.00 0.00 H new ATOM 0 HG2 LYS A 59 4.100 -5.871 13.055 1.00 0.00 H new ATOM 0 HG3 LYS A 59 5.642 -6.420 12.430 1.00 0.00 H new ATOM 0 HD2 LYS A 59 6.721 -4.297 13.262 1.00 0.00 H new ATOM 0 HD3 LYS A 59 5.179 -3.779 13.913 1.00 0.00 H new ATOM 0 HE2 LYS A 59 5.097 -5.835 15.354 1.00 0.00 H new ATOM 0 HE3 LYS A 59 6.639 -6.353 14.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 6.925 -5.182 16.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 7.652 -4.304 15.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 6.158 -3.802 16.175 1.00 0.00 H new ATOM 918 N LEU A 60 5.231 -6.398 8.740 1.00 0.00 N ATOM 919 CA LEU A 60 5.197 -7.709 8.025 1.00 0.00 C ATOM 920 C LEU A 60 6.388 -7.813 7.068 1.00 0.00 C ATOM 921 O LEU A 60 6.798 -6.844 6.460 1.00 0.00 O ATOM 922 CB LEU A 60 3.889 -7.802 7.228 1.00 0.00 C ATOM 923 CG LEU A 60 2.680 -7.572 8.151 1.00 0.00 C ATOM 924 CD1 LEU A 60 1.399 -7.567 7.305 1.00 0.00 C ATOM 925 CD2 LEU A 60 2.596 -8.677 9.230 1.00 0.00 C ATOM 0 H LEU A 60 4.556 -5.710 8.406 1.00 0.00 H new ATOM 0 HA LEU A 60 5.253 -8.523 8.748 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.890 -7.061 6.428 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.813 -8.781 6.756 1.00 0.00 H new ATOM 0 HG LEU A 60 2.795 -6.613 8.656 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.537 -7.405 7.952 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.454 -6.768 6.566 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.295 -8.525 6.796 1.00 0.00 H new ATOM 0 HD21 LEU A 60 1.734 -8.494 9.871 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.490 -9.649 8.748 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.505 -8.667 9.832 1.00 0.00 H new ATOM 937 N ASP A 61 6.952 -8.990 6.936 1.00 0.00 N ATOM 938 CA ASP A 61 8.131 -9.183 6.025 1.00 0.00 C ATOM 939 C ASP A 61 7.650 -9.626 4.632 1.00 0.00 C ATOM 940 O ASP A 61 6.561 -9.293 4.210 1.00 0.00 O ATOM 941 CB ASP A 61 9.031 -10.270 6.619 1.00 0.00 C ATOM 942 CG ASP A 61 9.509 -9.833 8.005 1.00 0.00 C ATOM 943 OD1 ASP A 61 9.559 -8.637 8.241 1.00 0.00 O ATOM 944 OD2 ASP A 61 9.818 -10.699 8.804 1.00 0.00 O ATOM 0 H ASP A 61 6.646 -9.832 7.423 1.00 0.00 H new ATOM 0 HA ASP A 61 8.680 -8.246 5.929 1.00 0.00 H new ATOM 0 HB2 ASP A 61 8.485 -11.211 6.690 1.00 0.00 H new ATOM 0 HB3 ASP A 61 9.886 -10.446 5.966 1.00 0.00 H new ATOM 949 N PHE A 62 8.463 -10.378 3.921 1.00 0.00 N ATOM 950 CA PHE A 62 8.092 -10.865 2.546 1.00 0.00 C ATOM 951 C PHE A 62 7.421 -9.753 1.726 1.00 0.00 C ATOM 952 O PHE A 62 6.749 -10.014 0.747 1.00 0.00 O ATOM 953 CB PHE A 62 7.160 -12.092 2.646 1.00 0.00 C ATOM 954 CG PHE A 62 5.842 -11.723 3.306 1.00 0.00 C ATOM 955 CD1 PHE A 62 5.712 -11.792 4.701 1.00 0.00 C ATOM 956 CD2 PHE A 62 4.749 -11.323 2.525 1.00 0.00 C ATOM 957 CE1 PHE A 62 4.497 -11.465 5.310 1.00 0.00 C ATOM 958 CE2 PHE A 62 3.532 -10.995 3.135 1.00 0.00 C ATOM 959 CZ PHE A 62 3.406 -11.062 4.527 1.00 0.00 C ATOM 0 H PHE A 62 9.383 -10.680 4.240 1.00 0.00 H new ATOM 0 HA PHE A 62 9.008 -11.157 2.033 1.00 0.00 H new ATOM 0 HB2 PHE A 62 6.972 -12.493 1.650 1.00 0.00 H new ATOM 0 HB3 PHE A 62 7.650 -12.879 3.219 1.00 0.00 H new ATOM 0 HD1 PHE A 62 6.553 -12.098 5.306 1.00 0.00 H new ATOM 0 HD2 PHE A 62 4.846 -11.268 1.451 1.00 0.00 H new ATOM 0 HE1 PHE A 62 4.399 -11.523 6.384 1.00 0.00 H new ATOM 0 HE2 PHE A 62 2.690 -10.690 2.531 1.00 0.00 H new ATOM 0 HZ PHE A 62 2.469 -10.803 4.998 1.00 0.00 H new ATOM 969 N LEU A 63 7.614 -8.512 2.118 1.00 0.00 N ATOM 970 CA LEU A 63 7.007 -7.349 1.378 1.00 0.00 C ATOM 971 C LEU A 63 8.077 -6.274 1.145 1.00 0.00 C ATOM 972 O LEU A 63 8.775 -5.865 2.053 1.00 0.00 O ATOM 973 CB LEU A 63 5.849 -6.768 2.222 1.00 0.00 C ATOM 974 CG LEU A 63 4.584 -7.671 2.115 1.00 0.00 C ATOM 975 CD1 LEU A 63 3.701 -7.488 3.356 1.00 0.00 C ATOM 976 CD2 LEU A 63 3.759 -7.294 0.870 1.00 0.00 C ATOM 0 H LEU A 63 8.173 -8.251 2.930 1.00 0.00 H new ATOM 0 HA LEU A 63 6.624 -7.681 0.413 1.00 0.00 H new ATOM 0 HB2 LEU A 63 6.157 -6.687 3.264 1.00 0.00 H new ATOM 0 HB3 LEU A 63 5.613 -5.760 1.880 1.00 0.00 H new ATOM 0 HG LEU A 63 4.913 -8.707 2.039 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.819 -8.123 3.272 1.00 0.00 H new ATOM 0 HD12 LEU A 63 4.264 -7.765 4.247 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.391 -6.446 3.432 1.00 0.00 H new ATOM 0 HD21 LEU A 63 2.879 -7.934 0.809 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.446 -6.252 0.943 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.368 -7.429 -0.024 1.00 0.00 H new ATOM 988 N THR A 64 8.200 -5.810 -0.077 1.00 0.00 N ATOM 989 CA THR A 64 9.208 -4.750 -0.402 1.00 0.00 C ATOM 990 C THR A 64 8.564 -3.378 -0.205 1.00 0.00 C ATOM 991 O THR A 64 7.447 -3.150 -0.630 1.00 0.00 O ATOM 992 CB THR A 64 9.641 -4.899 -1.866 1.00 0.00 C ATOM 993 OG1 THR A 64 10.160 -6.202 -2.066 1.00 0.00 O ATOM 994 CG2 THR A 64 10.721 -3.866 -2.202 1.00 0.00 C ATOM 0 H THR A 64 7.640 -6.123 -0.870 1.00 0.00 H new ATOM 0 HA THR A 64 10.076 -4.850 0.249 1.00 0.00 H new ATOM 0 HB THR A 64 8.780 -4.737 -2.514 1.00 0.00 H new ATOM 0 HG1 THR A 64 10.437 -6.304 -3.001 1.00 0.00 H new ATOM 0 HG21 THR A 64 11.022 -3.980 -3.243 1.00 0.00 H new ATOM 0 HG22 THR A 64 10.326 -2.862 -2.046 1.00 0.00 H new ATOM 0 HG23 THR A 64 11.585 -4.020 -1.556 1.00 0.00 H new ATOM 1002 N VAL A 65 9.256 -2.462 0.441 1.00 0.00 N ATOM 1003 CA VAL A 65 8.698 -1.085 0.683 1.00 0.00 C ATOM 1004 C VAL A 65 9.616 -0.051 0.030 1.00 0.00 C ATOM 1005 O VAL A 65 10.815 -0.052 0.228 1.00 0.00 O ATOM 1006 CB VAL A 65 8.624 -0.829 2.203 1.00 0.00 C ATOM 1007 CG1 VAL A 65 8.287 0.648 2.492 1.00 0.00 C ATOM 1008 CG2 VAL A 65 7.539 -1.722 2.814 1.00 0.00 C ATOM 0 H VAL A 65 10.193 -2.611 0.815 1.00 0.00 H new ATOM 0 HA VAL A 65 7.699 -1.006 0.253 1.00 0.00 H new ATOM 0 HB VAL A 65 9.594 -1.060 2.643 1.00 0.00 H new ATOM 0 HG11 VAL A 65 8.240 0.806 3.569 1.00 0.00 H new ATOM 0 HG12 VAL A 65 9.059 1.288 2.065 1.00 0.00 H new ATOM 0 HG13 VAL A 65 7.323 0.895 2.046 1.00 0.00 H new ATOM 0 HG21 VAL A 65 7.484 -1.544 3.888 1.00 0.00 H new ATOM 0 HG22 VAL A 65 6.577 -1.490 2.358 1.00 0.00 H new ATOM 0 HG23 VAL A 65 7.784 -2.768 2.632 1.00 0.00 H new ATOM 1018 N GLN A 66 9.052 0.849 -0.732 1.00 0.00 N ATOM 1019 CA GLN A 66 9.868 1.913 -1.388 1.00 0.00 C ATOM 1020 C GLN A 66 8.988 3.144 -1.573 1.00 0.00 C ATOM 1021 O GLN A 66 7.975 3.093 -2.243 1.00 0.00 O ATOM 1022 CB GLN A 66 10.364 1.421 -2.749 1.00 0.00 C ATOM 1023 CG GLN A 66 11.242 2.496 -3.399 1.00 0.00 C ATOM 1024 CD GLN A 66 11.892 1.937 -4.669 1.00 0.00 C ATOM 1025 OE1 GLN A 66 12.990 1.423 -4.622 1.00 0.00 O ATOM 1026 NE2 GLN A 66 11.259 2.015 -5.807 1.00 0.00 N ATOM 0 H GLN A 66 8.052 0.893 -0.930 1.00 0.00 H new ATOM 0 HA GLN A 66 10.732 2.158 -0.770 1.00 0.00 H new ATOM 0 HB2 GLN A 66 10.932 0.498 -2.628 1.00 0.00 H new ATOM 0 HB3 GLN A 66 9.516 1.191 -3.394 1.00 0.00 H new ATOM 0 HG2 GLN A 66 10.640 3.372 -3.643 1.00 0.00 H new ATOM 0 HG3 GLN A 66 12.011 2.822 -2.699 1.00 0.00 H new ATOM 0 HE21 GLN A 66 10.336 2.447 -5.849 1.00 0.00 H new ATOM 0 HE22 GLN A 66 11.687 1.644 -6.655 1.00 0.00 H new ATOM 1035 N GLU A 67 9.360 4.246 -0.964 1.00 0.00 N ATOM 1036 CA GLU A 67 8.550 5.504 -1.065 1.00 0.00 C ATOM 1037 C GLU A 67 9.427 6.641 -1.589 1.00 0.00 C ATOM 1038 O GLU A 67 10.550 6.829 -1.163 1.00 0.00 O ATOM 1039 CB GLU A 67 7.993 5.841 0.336 1.00 0.00 C ATOM 1040 CG GLU A 67 9.113 6.311 1.271 1.00 0.00 C ATOM 1041 CD GLU A 67 8.598 6.360 2.716 1.00 0.00 C ATOM 1042 OE1 GLU A 67 7.919 5.429 3.114 1.00 0.00 O ATOM 1043 OE2 GLU A 67 8.892 7.330 3.398 1.00 0.00 O ATOM 0 H GLU A 67 10.202 4.328 -0.394 1.00 0.00 H new ATOM 0 HA GLU A 67 7.721 5.369 -1.760 1.00 0.00 H new ATOM 0 HB2 GLU A 67 7.233 6.618 0.252 1.00 0.00 H new ATOM 0 HB3 GLU A 67 7.505 4.963 0.759 1.00 0.00 H new ATOM 0 HG2 GLU A 67 9.965 5.635 1.202 1.00 0.00 H new ATOM 0 HG3 GLU A 67 9.463 7.297 0.967 1.00 0.00 H new ATOM 1050 N SER A 68 8.906 7.408 -2.514 1.00 0.00 N ATOM 1051 CA SER A 68 9.669 8.560 -3.087 1.00 0.00 C ATOM 1052 C SER A 68 9.179 9.835 -2.413 1.00 0.00 C ATOM 1053 O SER A 68 8.000 10.127 -2.396 1.00 0.00 O ATOM 1054 CB SER A 68 9.411 8.651 -4.589 1.00 0.00 C ATOM 1055 OG SER A 68 10.029 9.825 -5.097 1.00 0.00 O ATOM 0 H SER A 68 7.971 7.283 -2.902 1.00 0.00 H new ATOM 0 HA SER A 68 10.737 8.425 -2.918 1.00 0.00 H new ATOM 0 HB2 SER A 68 9.808 7.769 -5.093 1.00 0.00 H new ATOM 0 HB3 SER A 68 8.339 8.675 -4.786 1.00 0.00 H new ATOM 0 HG SER A 68 9.868 9.888 -6.062 1.00 0.00 H new ATOM 1061 N ARG A 69 10.071 10.594 -1.842 1.00 0.00 N ATOM 1062 CA ARG A 69 9.646 11.846 -1.159 1.00 0.00 C ATOM 1063 C ARG A 69 9.161 12.849 -2.211 1.00 0.00 C ATOM 1064 O ARG A 69 9.774 13.021 -3.247 1.00 0.00 O ATOM 1065 CB ARG A 69 10.826 12.438 -0.392 1.00 0.00 C ATOM 1066 CG ARG A 69 11.271 11.502 0.746 1.00 0.00 C ATOM 1067 CD ARG A 69 12.362 12.212 1.587 1.00 0.00 C ATOM 1068 NE ARG A 69 13.405 11.240 2.060 1.00 0.00 N ATOM 1069 CZ ARG A 69 14.067 11.482 3.177 1.00 0.00 C ATOM 1070 NH1 ARG A 69 13.519 12.203 4.113 1.00 0.00 N ATOM 1071 NH2 ARG A 69 15.250 10.969 3.395 1.00 0.00 N ATOM 0 H ARG A 69 11.073 10.402 -1.819 1.00 0.00 H new ATOM 0 HA ARG A 69 8.839 11.627 -0.460 1.00 0.00 H new ATOM 0 HB2 ARG A 69 11.659 12.608 -1.074 1.00 0.00 H new ATOM 0 HB3 ARG A 69 10.547 13.408 0.019 1.00 0.00 H new ATOM 0 HG2 ARG A 69 10.419 11.244 1.375 1.00 0.00 H new ATOM 0 HG3 ARG A 69 11.659 10.569 0.336 1.00 0.00 H new ATOM 0 HD2 ARG A 69 12.833 12.993 0.990 1.00 0.00 H new ATOM 0 HD3 ARG A 69 11.902 12.701 2.445 1.00 0.00 H new ATOM 0 HE ARG A 69 13.601 10.397 1.521 1.00 0.00 H new ATOM 0 HH11 ARG A 69 12.580 12.580 3.983 1.00 0.00 H new ATOM 0 HH12 ARG A 69 14.029 12.391 4.976 1.00 0.00 H new ATOM 0 HH21 ARG A 69 15.682 10.367 2.694 1.00 0.00 H new ATOM 0 HH22 ARG A 69 15.741 11.171 4.266 1.00 0.00 H new ATOM 1085 N ASN A 70 8.050 13.503 -1.954 1.00 0.00 N ATOM 1086 CA ASN A 70 7.492 14.488 -2.939 1.00 0.00 C ATOM 1087 C ASN A 70 6.728 15.591 -2.193 1.00 0.00 C ATOM 1088 O ASN A 70 5.615 15.392 -1.739 1.00 0.00 O ATOM 1089 CB ASN A 70 6.530 13.751 -3.872 1.00 0.00 C ATOM 1090 CG ASN A 70 5.959 14.720 -4.906 1.00 0.00 C ATOM 1091 OD1 ASN A 70 6.563 15.724 -5.222 1.00 0.00 O ATOM 1092 ND2 ASN A 70 4.807 14.452 -5.454 1.00 0.00 N ATOM 0 H ASN A 70 7.503 13.396 -1.100 1.00 0.00 H new ATOM 0 HA ASN A 70 8.303 14.939 -3.511 1.00 0.00 H new ATOM 0 HB2 ASN A 70 7.051 12.936 -4.374 1.00 0.00 H new ATOM 0 HB3 ASN A 70 5.721 13.304 -3.294 1.00 0.00 H new ATOM 0 HD21 ASN A 70 4.413 15.086 -6.149 1.00 0.00 H new ATOM 0 HD22 ASN A 70 4.300 13.608 -5.188 1.00 0.00 H new ATOM 1099 N GLY A 71 7.309 16.752 -2.070 1.00 0.00 N ATOM 1100 CA GLY A 71 6.610 17.865 -1.360 1.00 0.00 C ATOM 1101 C GLY A 71 6.259 17.436 0.066 1.00 0.00 C ATOM 1102 O GLY A 71 7.013 16.749 0.725 1.00 0.00 O ATOM 0 H GLY A 71 8.236 16.980 -2.429 1.00 0.00 H new ATOM 0 HA2 GLY A 71 7.247 18.749 -1.336 1.00 0.00 H new ATOM 0 HA3 GLY A 71 5.704 18.139 -1.900 1.00 0.00 H new ATOM 1106 N SER A 72 5.115 17.847 0.551 1.00 0.00 N ATOM 1107 CA SER A 72 4.700 17.481 1.942 1.00 0.00 C ATOM 1108 C SER A 72 4.030 16.106 1.950 1.00 0.00 C ATOM 1109 O SER A 72 3.760 15.553 2.999 1.00 0.00 O ATOM 1110 CB SER A 72 3.709 18.524 2.461 1.00 0.00 C ATOM 1111 OG SER A 72 3.377 18.225 3.813 1.00 0.00 O ATOM 0 H SER A 72 4.446 18.424 0.041 1.00 0.00 H new ATOM 0 HA SER A 72 5.583 17.451 2.580 1.00 0.00 H new ATOM 0 HB2 SER A 72 4.144 19.521 2.393 1.00 0.00 H new ATOM 0 HB3 SER A 72 2.810 18.526 1.845 1.00 0.00 H new ATOM 0 HG SER A 72 3.402 17.255 3.949 1.00 0.00 H new ATOM 1117 N LYS A 73 3.752 15.550 0.790 1.00 0.00 N ATOM 1118 CA LYS A 73 3.087 14.203 0.708 1.00 0.00 C ATOM 1119 C LYS A 73 4.004 13.260 -0.080 1.00 0.00 C ATOM 1120 O LYS A 73 4.255 13.455 -1.252 1.00 0.00 O ATOM 1121 CB LYS A 73 1.727 14.376 -0.016 1.00 0.00 C ATOM 1122 CG LYS A 73 0.707 13.313 0.437 1.00 0.00 C ATOM 1123 CD LYS A 73 1.230 11.902 0.150 1.00 0.00 C ATOM 1124 CE LYS A 73 0.134 10.879 0.468 1.00 0.00 C ATOM 1125 NZ LYS A 73 0.610 9.512 0.112 1.00 0.00 N ATOM 0 H LYS A 73 3.960 15.976 -0.113 1.00 0.00 H new ATOM 0 HA LYS A 73 2.913 13.784 1.699 1.00 0.00 H new ATOM 0 HB2 LYS A 73 1.331 15.371 0.185 1.00 0.00 H new ATOM 0 HB3 LYS A 73 1.875 14.304 -1.093 1.00 0.00 H new ATOM 0 HG2 LYS A 73 0.509 13.423 1.503 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -0.240 13.467 -0.080 1.00 0.00 H new ATOM 0 HD2 LYS A 73 1.529 11.818 -0.895 1.00 0.00 H new ATOM 0 HD3 LYS A 73 2.116 11.701 0.752 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -0.122 10.922 1.527 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -0.772 11.116 -0.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 0.136 9.195 -0.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 1.638 9.532 -0.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 0.389 8.855 0.887 1.00 0.00 H new ATOM 1139 N LEU A 74 4.489 12.220 0.548 1.00 0.00 N ATOM 1140 CA LEU A 74 5.373 11.245 -0.165 1.00 0.00 C ATOM 1141 C LEU A 74 4.496 10.159 -0.786 1.00 0.00 C ATOM 1142 O LEU A 74 3.434 9.853 -0.280 1.00 0.00 O ATOM 1143 CB LEU A 74 6.363 10.614 0.833 1.00 0.00 C ATOM 1144 CG LEU A 74 5.618 9.989 2.065 1.00 0.00 C ATOM 1145 CD1 LEU A 74 5.508 8.462 1.908 1.00 0.00 C ATOM 1146 CD2 LEU A 74 6.390 10.300 3.364 1.00 0.00 C ATOM 0 H LEU A 74 4.311 12.002 1.528 1.00 0.00 H new ATOM 0 HA LEU A 74 5.940 11.754 -0.944 1.00 0.00 H new ATOM 0 HB2 LEU A 74 6.947 9.843 0.330 1.00 0.00 H new ATOM 0 HB3 LEU A 74 7.066 11.372 1.178 1.00 0.00 H new ATOM 0 HG LEU A 74 4.619 10.423 2.115 1.00 0.00 H new ATOM 0 HD11 LEU A 74 4.989 8.044 2.771 1.00 0.00 H new ATOM 0 HD12 LEU A 74 4.950 8.229 1.001 1.00 0.00 H new ATOM 0 HD13 LEU A 74 6.507 8.030 1.841 1.00 0.00 H new ATOM 0 HD21 LEU A 74 5.865 9.862 4.213 1.00 0.00 H new ATOM 0 HD22 LEU A 74 7.393 9.878 3.301 1.00 0.00 H new ATOM 0 HD23 LEU A 74 6.458 11.380 3.497 1.00 0.00 H new ATOM 1158 N HIS A 75 4.928 9.570 -1.875 1.00 0.00 N ATOM 1159 CA HIS A 75 4.122 8.492 -2.540 1.00 0.00 C ATOM 1160 C HIS A 75 4.686 7.129 -2.141 1.00 0.00 C ATOM 1161 O HIS A 75 5.677 6.666 -2.679 1.00 0.00 O ATOM 1162 CB HIS A 75 4.214 8.663 -4.059 1.00 0.00 C ATOM 1163 CG HIS A 75 3.637 10.000 -4.439 1.00 0.00 C ATOM 1164 ND1 HIS A 75 2.290 10.291 -4.299 1.00 0.00 N ATOM 1165 CD2 HIS A 75 4.217 11.142 -4.937 1.00 0.00 C ATOM 1166 CE1 HIS A 75 2.104 11.560 -4.702 1.00 0.00 C ATOM 1167 NE2 HIS A 75 3.246 12.125 -5.100 1.00 0.00 N ATOM 0 H HIS A 75 5.811 9.790 -2.337 1.00 0.00 H new ATOM 0 HA HIS A 75 3.079 8.559 -2.229 1.00 0.00 H new ATOM 0 HB2 HIS A 75 5.253 8.596 -4.383 1.00 0.00 H new ATOM 0 HB3 HIS A 75 3.671 7.862 -4.561 1.00 0.00 H new ATOM 0 HD1 HIS A 75 1.570 9.657 -3.953 1.00 0.00 H new ATOM 0 HD2 HIS A 75 5.266 11.259 -5.167 1.00 0.00 H new ATOM 0 HE1 HIS A 75 1.147 12.061 -4.704 1.00 0.00 H new ATOM 1175 N SER A 76 4.057 6.479 -1.194 1.00 0.00 N ATOM 1176 CA SER A 76 4.541 5.142 -0.753 1.00 0.00 C ATOM 1177 C SER A 76 4.165 4.101 -1.802 1.00 0.00 C ATOM 1178 O SER A 76 3.134 4.188 -2.438 1.00 0.00 O ATOM 1179 CB SER A 76 3.894 4.763 0.583 1.00 0.00 C ATOM 1180 OG SER A 76 4.311 3.455 0.951 1.00 0.00 O ATOM 0 H SER A 76 3.228 6.820 -0.708 1.00 0.00 H new ATOM 0 HA SER A 76 5.624 5.177 -0.631 1.00 0.00 H new ATOM 0 HB2 SER A 76 4.179 5.479 1.354 1.00 0.00 H new ATOM 0 HB3 SER A 76 2.808 4.801 0.498 1.00 0.00 H new ATOM 0 HG SER A 76 4.330 3.380 1.928 1.00 0.00 H new ATOM 1186 N GLU A 77 4.993 3.105 -1.974 1.00 0.00 N ATOM 1187 CA GLU A 77 4.704 2.023 -2.963 1.00 0.00 C ATOM 1188 C GLU A 77 5.180 0.702 -2.375 1.00 0.00 C ATOM 1189 O GLU A 77 6.190 0.642 -1.699 1.00 0.00 O ATOM 1190 CB GLU A 77 5.455 2.287 -4.273 1.00 0.00 C ATOM 1191 CG GLU A 77 4.874 3.521 -4.964 1.00 0.00 C ATOM 1192 CD GLU A 77 5.631 3.794 -6.268 1.00 0.00 C ATOM 1193 OE1 GLU A 77 6.544 3.042 -6.576 1.00 0.00 O ATOM 1194 OE2 GLU A 77 5.286 4.753 -6.935 1.00 0.00 O ATOM 0 H GLU A 77 5.870 2.993 -1.465 1.00 0.00 H new ATOM 0 HA GLU A 77 3.634 1.992 -3.171 1.00 0.00 H new ATOM 0 HB2 GLU A 77 6.515 2.438 -4.071 1.00 0.00 H new ATOM 0 HB3 GLU A 77 5.376 1.420 -4.929 1.00 0.00 H new ATOM 0 HG2 GLU A 77 3.816 3.367 -5.173 1.00 0.00 H new ATOM 0 HG3 GLU A 77 4.946 4.386 -4.304 1.00 0.00 H new ATOM 1201 N ILE A 78 4.455 -0.354 -2.634 1.00 0.00 N ATOM 1202 CA ILE A 78 4.833 -1.706 -2.112 1.00 0.00 C ATOM 1203 C ILE A 78 4.728 -2.736 -3.227 1.00 0.00 C ATOM 1204 O ILE A 78 3.986 -2.571 -4.176 1.00 0.00 O ATOM 1205 CB ILE A 78 3.894 -2.091 -0.966 1.00 0.00 C ATOM 1206 CG1 ILE A 78 2.429 -2.027 -1.434 1.00 0.00 C ATOM 1207 CG2 ILE A 78 4.102 -1.127 0.199 1.00 0.00 C ATOM 1208 CD1 ILE A 78 1.518 -2.564 -0.328 1.00 0.00 C ATOM 0 H ILE A 78 3.603 -0.339 -3.194 1.00 0.00 H new ATOM 0 HA ILE A 78 5.860 -1.678 -1.747 1.00 0.00 H new ATOM 0 HB ILE A 78 4.117 -3.109 -0.647 1.00 0.00 H new ATOM 0 HG12 ILE A 78 2.158 -1.000 -1.677 1.00 0.00 H new ATOM 0 HG13 ILE A 78 2.300 -2.614 -2.343 1.00 0.00 H new ATOM 0 HG21 ILE A 78 3.435 -1.397 1.018 1.00 0.00 H new ATOM 0 HG22 ILE A 78 5.136 -1.185 0.539 1.00 0.00 H new ATOM 0 HG23 ILE A 78 3.883 -0.110 -0.127 1.00 0.00 H new ATOM 0 HD11 ILE A 78 0.480 -2.519 -0.658 1.00 0.00 H new ATOM 0 HD12 ILE A 78 1.784 -3.598 -0.107 1.00 0.00 H new ATOM 0 HD13 ILE A 78 1.640 -1.958 0.570 1.00 0.00 H new ATOM 1220 N ARG A 79 5.456 -3.814 -3.107 1.00 0.00 N ATOM 1221 CA ARG A 79 5.399 -4.889 -4.141 1.00 0.00 C ATOM 1222 C ARG A 79 5.689 -6.230 -3.473 1.00 0.00 C ATOM 1223 O ARG A 79 6.404 -6.308 -2.492 1.00 0.00 O ATOM 1224 CB ARG A 79 6.434 -4.620 -5.246 1.00 0.00 C ATOM 1225 CG ARG A 79 6.270 -5.682 -6.335 1.00 0.00 C ATOM 1226 CD ARG A 79 7.194 -5.432 -7.520 1.00 0.00 C ATOM 1227 NE ARG A 79 6.809 -6.443 -8.560 1.00 0.00 N ATOM 1228 CZ ARG A 79 5.989 -6.140 -9.544 1.00 0.00 C ATOM 1229 NH1 ARG A 79 5.787 -4.900 -9.910 1.00 0.00 N ATOM 1230 NH2 ARG A 79 5.402 -7.106 -10.204 1.00 0.00 N ATOM 0 H ARG A 79 6.092 -3.998 -2.331 1.00 0.00 H new ATOM 0 HA ARG A 79 4.408 -4.907 -4.594 1.00 0.00 H new ATOM 0 HB2 ARG A 79 6.291 -3.624 -5.664 1.00 0.00 H new ATOM 0 HB3 ARG A 79 7.443 -4.652 -4.835 1.00 0.00 H new ATOM 0 HG2 ARG A 79 6.477 -6.666 -5.915 1.00 0.00 H new ATOM 0 HG3 ARG A 79 5.235 -5.693 -6.678 1.00 0.00 H new ATOM 0 HD2 ARG A 79 7.077 -4.417 -7.899 1.00 0.00 H new ATOM 0 HD3 ARG A 79 8.239 -5.546 -7.232 1.00 0.00 H new ATOM 0 HE ARG A 79 7.192 -7.387 -8.503 1.00 0.00 H new ATOM 0 HH11 ARG A 79 6.270 -4.141 -9.429 1.00 0.00 H new ATOM 0 HH12 ARG A 79 5.146 -4.692 -10.676 1.00 0.00 H new ATOM 0 HH21 ARG A 79 5.583 -8.078 -9.953 1.00 0.00 H new ATOM 0 HH22 ARG A 79 4.764 -6.887 -10.969 1.00 0.00 H new ATOM 1244 N LEU A 80 5.143 -7.297 -3.999 1.00 0.00 N ATOM 1245 CA LEU A 80 5.396 -8.639 -3.393 1.00 0.00 C ATOM 1246 C LEU A 80 6.844 -9.042 -3.720 1.00 0.00 C ATOM 1247 O LEU A 80 7.243 -9.108 -4.868 1.00 0.00 O ATOM 1248 CB LEU A 80 4.383 -9.660 -3.976 1.00 0.00 C ATOM 1249 CG LEU A 80 4.150 -10.856 -3.012 1.00 0.00 C ATOM 1250 CD1 LEU A 80 5.478 -11.553 -2.686 1.00 0.00 C ATOM 1251 CD2 LEU A 80 3.451 -10.392 -1.702 1.00 0.00 C ATOM 0 H LEU A 80 4.536 -7.297 -4.818 1.00 0.00 H new ATOM 0 HA LEU A 80 5.266 -8.615 -2.311 1.00 0.00 H new ATOM 0 HB2 LEU A 80 3.434 -9.160 -4.171 1.00 0.00 H new ATOM 0 HB3 LEU A 80 4.750 -10.031 -4.933 1.00 0.00 H new ATOM 0 HG LEU A 80 3.495 -11.567 -3.515 1.00 0.00 H new ATOM 0 HD11 LEU A 80 5.294 -12.388 -2.010 1.00 0.00 H new ATOM 0 HD12 LEU A 80 5.930 -11.924 -3.606 1.00 0.00 H new ATOM 0 HD13 LEU A 80 6.154 -10.843 -2.210 1.00 0.00 H new ATOM 0 HD21 LEU A 80 3.301 -11.250 -1.046 1.00 0.00 H new ATOM 0 HD22 LEU A 80 4.076 -9.655 -1.198 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.486 -9.946 -1.943 1.00 0.00 H new ATOM 1263 N ARG A 81 7.633 -9.286 -2.710 1.00 0.00 N ATOM 1264 CA ARG A 81 9.061 -9.657 -2.927 1.00 0.00 C ATOM 1265 C ARG A 81 9.159 -10.864 -3.865 1.00 0.00 C ATOM 1266 O ARG A 81 8.438 -11.834 -3.726 1.00 0.00 O ATOM 1267 CB ARG A 81 9.690 -9.994 -1.564 1.00 0.00 C ATOM 1268 CG ARG A 81 11.194 -10.333 -1.701 1.00 0.00 C ATOM 1269 CD ARG A 81 12.001 -9.117 -2.227 1.00 0.00 C ATOM 1270 NE ARG A 81 13.314 -9.034 -1.517 1.00 0.00 N ATOM 1271 CZ ARG A 81 14.251 -8.232 -1.961 1.00 0.00 C ATOM 1272 NH1 ARG A 81 14.081 -7.580 -3.080 1.00 0.00 N ATOM 1273 NH2 ARG A 81 15.359 -8.087 -1.291 1.00 0.00 N ATOM 0 H ARG A 81 7.346 -9.244 -1.732 1.00 0.00 H new ATOM 0 HA ARG A 81 9.593 -8.824 -3.387 1.00 0.00 H new ATOM 0 HB2 ARG A 81 9.567 -9.149 -0.886 1.00 0.00 H new ATOM 0 HB3 ARG A 81 9.165 -10.839 -1.119 1.00 0.00 H new ATOM 0 HG2 ARG A 81 11.589 -10.643 -0.733 1.00 0.00 H new ATOM 0 HG3 ARG A 81 11.318 -11.176 -2.381 1.00 0.00 H new ATOM 0 HD2 ARG A 81 12.163 -9.214 -3.300 1.00 0.00 H new ATOM 0 HD3 ARG A 81 11.435 -8.199 -2.072 1.00 0.00 H new ATOM 0 HE ARG A 81 13.481 -9.602 -0.686 1.00 0.00 H new ATOM 0 HH11 ARG A 81 13.217 -7.694 -3.611 1.00 0.00 H new ATOM 0 HH12 ARG A 81 14.812 -6.957 -3.423 1.00 0.00 H new ATOM 0 HH21 ARG A 81 15.499 -8.598 -0.419 1.00 0.00 H new ATOM 0 HH22 ARG A 81 16.087 -7.462 -1.638 1.00 0.00 H new