USER MOD reduce.3.24.130724 H: found=0, std=0, add=487, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 484 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 33 ASN : amide:sc= -1.68! K(o=-1.7!,f=-0.19) USER MOD Set 1.2: A 34 GLN : amide:sc= 0 K(o=-1.7,f=-0.19) USER MOD Set 2.1: A 19 TYR OH : rot 141:sc= 2.08 USER MOD Set 2.2: A 23 GLN : amide:sc= 0.631 K(o=2.7,f=0.77) USER MOD Set 3.1: A 3 MET CE :methyl 172:sc= -2.04 (180deg=-2.33) USER MOD Set 3.2: A 6 SER OG : rot -107:sc= 0.848 USER MOD Single : A 1 MET CE :methyl -170:sc= -0.494 (180deg=-0.654) USER MOD Single : A 1 MET N :NH3+ 166:sc= 1.09 (180deg=1.02) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.431 USER MOD Single : A 9 ASN : amide:sc= -0.0942 K(o=-0.094,f=-0.89) USER MOD Single : A 14 GLN : amide:sc= -4.1! K(o=-4.1!,f=-0.29) USER MOD Single : A 20 MET CE :methyl 179:sc= -11.8! (180deg=-12!) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 19:sc= 0.567 USER MOD Single : A 30 GLN : amide:sc= -0.247 X(o=-0.25,f=-0.25) USER MOD Single : A 31 GLN : amide:sc= -0.294 X(o=-0.29,f=-0.01) USER MOD Single : A 32 HIS : no HE2:sc= 0.326 K(o=0.33,f=-8.5!) USER MOD Single : A 35 SER OG : rot 90:sc= -0.456 USER MOD Single : A 43 SER OG : rot 118:sc= 1.24 USER MOD Single : A 44 GLN : amide:sc= -3.18! C(o=-3.2!,f=-9.8!) USER MOD Single : A 58 ASN : amide:sc= 0.078 K(o=0.078,f=-0.63) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.279 0.930 -1.880 1.00 0.00 N ATOM 2 CA MET A 1 0.960 0.909 -2.706 1.00 0.00 C ATOM 3 C MET A 1 1.334 -0.544 -2.949 1.00 0.00 C ATOM 4 O MET A 1 0.928 -1.422 -2.181 1.00 0.00 O ATOM 5 CB MET A 1 2.096 1.634 -1.973 1.00 0.00 C ATOM 6 CG MET A 1 2.536 2.850 -2.790 1.00 0.00 C ATOM 7 SD MET A 1 2.814 2.339 -4.503 1.00 0.00 S ATOM 8 CE MET A 1 4.436 3.108 -4.720 1.00 0.00 C ATOM 0 H1 MET A 1 -0.427 1.887 -1.500 1.00 0.00 H new ATOM 0 H2 MET A 1 -1.093 0.661 -2.469 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.183 0.257 -1.093 1.00 0.00 H new ATOM 0 HA MET A 1 0.792 1.419 -3.654 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.763 1.948 -0.984 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.938 0.958 -1.826 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.773 3.628 -2.748 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.448 3.275 -2.371 1.00 0.00 H new ATOM 0 HE1 MET A 1 4.720 3.067 -5.771 1.00 0.00 H new ATOM 0 HE2 MET A 1 4.392 4.148 -4.396 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.175 2.573 -4.123 1.00 0.00 H new ATOM 18 N LEU A 2 2.080 -0.810 -4.020 1.00 0.00 N ATOM 19 CA LEU A 2 2.451 -2.181 -4.339 1.00 0.00 C ATOM 20 C LEU A 2 3.857 -2.293 -4.902 1.00 0.00 C ATOM 21 O LEU A 2 4.334 -1.395 -5.595 1.00 0.00 O ATOM 22 CB LEU A 2 1.492 -2.712 -5.374 1.00 0.00 C ATOM 23 CG LEU A 2 1.278 -4.185 -5.142 1.00 0.00 C ATOM 24 CD1 LEU A 2 -0.077 -4.373 -4.476 1.00 0.00 C ATOM 25 CD2 LEU A 2 1.330 -4.881 -6.496 1.00 0.00 C ATOM 0 H LEU A 2 2.432 -0.106 -4.669 1.00 0.00 H new ATOM 0 HA LEU A 2 2.412 -2.752 -3.411 1.00 0.00 H new ATOM 0 HB2 LEU A 2 0.542 -2.180 -5.314 1.00 0.00 H new ATOM 0 HB3 LEU A 2 1.889 -2.543 -6.375 1.00 0.00 H new ATOM 0 HG LEU A 2 2.044 -4.611 -4.493 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -0.251 -5.434 -4.299 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -0.092 -3.839 -3.526 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -0.859 -3.980 -5.125 1.00 0.00 H new ATOM 0 HD21 LEU A 2 1.178 -5.952 -6.361 1.00 0.00 H new ATOM 0 HD22 LEU A 2 0.547 -4.482 -7.141 1.00 0.00 H new ATOM 0 HD23 LEU A 2 2.302 -4.708 -6.957 1.00 0.00 H new ATOM 37 N MET A 3 4.492 -3.426 -4.635 1.00 0.00 N ATOM 38 CA MET A 3 5.824 -3.685 -5.146 1.00 0.00 C ATOM 39 C MET A 3 5.712 -4.575 -6.387 1.00 0.00 C ATOM 40 O MET A 3 5.179 -5.686 -6.314 1.00 0.00 O ATOM 41 CB MET A 3 6.673 -4.372 -4.075 1.00 0.00 C ATOM 42 CG MET A 3 8.154 -4.157 -4.376 1.00 0.00 C ATOM 43 SD MET A 3 8.603 -5.128 -5.835 1.00 0.00 S ATOM 44 CE MET A 3 10.280 -4.491 -6.025 1.00 0.00 C ATOM 0 H MET A 3 4.103 -4.179 -4.067 1.00 0.00 H new ATOM 0 HA MET A 3 6.306 -2.745 -5.413 1.00 0.00 H new ATOM 0 HB2 MET A 3 6.430 -3.970 -3.091 1.00 0.00 H new ATOM 0 HB3 MET A 3 6.449 -5.438 -4.048 1.00 0.00 H new ATOM 0 HG2 MET A 3 8.353 -3.100 -4.551 1.00 0.00 H new ATOM 0 HG3 MET A 3 8.760 -4.459 -3.522 1.00 0.00 H new ATOM 0 HE1 MET A 3 10.802 -5.063 -6.792 1.00 0.00 H new ATOM 0 HE2 MET A 3 10.240 -3.442 -6.319 1.00 0.00 H new ATOM 0 HE3 MET A 3 10.813 -4.582 -5.079 1.00 0.00 H new ATOM 54 N ILE A 4 6.184 -4.082 -7.527 1.00 0.00 N ATOM 55 CA ILE A 4 6.086 -4.845 -8.769 1.00 0.00 C ATOM 56 C ILE A 4 7.381 -5.543 -9.122 1.00 0.00 C ATOM 57 O ILE A 4 7.423 -6.769 -9.272 1.00 0.00 O ATOM 58 CB ILE A 4 5.710 -3.906 -9.923 1.00 0.00 C ATOM 59 CG1 ILE A 4 4.233 -3.528 -9.804 1.00 0.00 C ATOM 60 CG2 ILE A 4 5.956 -4.587 -11.281 1.00 0.00 C ATOM 61 CD1 ILE A 4 3.347 -4.774 -9.932 1.00 0.00 C ATOM 0 H ILE A 4 6.633 -3.171 -7.619 1.00 0.00 H new ATOM 0 HA ILE A 4 5.320 -5.605 -8.616 1.00 0.00 H new ATOM 0 HB ILE A 4 6.331 -3.012 -9.865 1.00 0.00 H new ATOM 0 HG12 ILE A 4 4.052 -3.043 -8.845 1.00 0.00 H new ATOM 0 HG13 ILE A 4 3.972 -2.808 -10.580 1.00 0.00 H new ATOM 0 HG21 ILE A 4 5.683 -3.904 -12.085 1.00 0.00 H new ATOM 0 HG22 ILE A 4 7.010 -4.850 -11.370 1.00 0.00 H new ATOM 0 HG23 ILE A 4 5.350 -5.490 -11.350 1.00 0.00 H new ATOM 0 HD11 ILE A 4 2.299 -4.486 -9.845 1.00 0.00 H new ATOM 0 HD12 ILE A 4 3.515 -5.242 -10.902 1.00 0.00 H new ATOM 0 HD13 ILE A 4 3.596 -5.480 -9.140 1.00 0.00 H new ATOM 73 N THR A 5 8.424 -4.758 -9.315 1.00 0.00 N ATOM 74 CA THR A 5 9.699 -5.307 -9.718 1.00 0.00 C ATOM 75 C THR A 5 10.807 -4.352 -9.349 1.00 0.00 C ATOM 76 O THR A 5 10.604 -3.398 -8.603 1.00 0.00 O ATOM 77 CB THR A 5 9.687 -5.521 -11.248 1.00 0.00 C ATOM 78 OG1 THR A 5 10.804 -6.316 -11.625 1.00 0.00 O ATOM 79 CG2 THR A 5 9.748 -4.160 -11.951 1.00 0.00 C ATOM 0 H THR A 5 8.412 -3.745 -9.199 1.00 0.00 H new ATOM 0 HA THR A 5 9.868 -6.257 -9.211 1.00 0.00 H new ATOM 0 HB THR A 5 8.771 -6.034 -11.541 1.00 0.00 H new ATOM 0 HG1 THR A 5 10.795 -6.453 -12.595 1.00 0.00 H new ATOM 0 HG21 THR A 5 9.740 -4.308 -13.031 1.00 0.00 H new ATOM 0 HG22 THR A 5 8.885 -3.561 -11.660 1.00 0.00 H new ATOM 0 HG23 THR A 5 10.663 -3.642 -11.663 1.00 0.00 H new ATOM 87 N SER A 6 11.969 -4.598 -9.904 1.00 0.00 N ATOM 88 CA SER A 6 13.110 -3.744 -9.670 1.00 0.00 C ATOM 89 C SER A 6 13.938 -3.684 -10.935 1.00 0.00 C ATOM 90 O SER A 6 14.058 -4.677 -11.658 1.00 0.00 O ATOM 91 CB SER A 6 13.930 -4.258 -8.507 1.00 0.00 C ATOM 92 OG SER A 6 13.099 -5.018 -7.637 1.00 0.00 O ATOM 0 H SER A 6 12.151 -5.387 -10.524 1.00 0.00 H new ATOM 0 HA SER A 6 12.773 -2.740 -9.412 1.00 0.00 H new ATOM 0 HB2 SER A 6 14.752 -4.874 -8.872 1.00 0.00 H new ATOM 0 HB3 SER A 6 14.374 -3.423 -7.965 1.00 0.00 H new ATOM 0 HG SER A 6 12.936 -4.511 -6.814 1.00 0.00 H new ATOM 98 N PHE A 7 14.463 -2.513 -11.227 1.00 0.00 N ATOM 99 CA PHE A 7 15.227 -2.328 -12.440 1.00 0.00 C ATOM 100 C PHE A 7 16.684 -2.026 -12.149 1.00 0.00 C ATOM 101 O PHE A 7 16.999 -1.193 -11.299 1.00 0.00 O ATOM 102 CB PHE A 7 14.597 -1.186 -13.221 1.00 0.00 C ATOM 103 CG PHE A 7 13.212 -1.599 -13.673 1.00 0.00 C ATOM 104 CD1 PHE A 7 13.014 -2.845 -14.272 1.00 0.00 C ATOM 105 CD2 PHE A 7 12.130 -0.730 -13.517 1.00 0.00 C ATOM 106 CE1 PHE A 7 11.744 -3.224 -14.702 1.00 0.00 C ATOM 107 CE2 PHE A 7 10.857 -1.106 -13.964 1.00 0.00 C ATOM 108 CZ PHE A 7 10.667 -2.349 -14.552 1.00 0.00 C ATOM 0 H PHE A 7 14.375 -1.680 -10.645 1.00 0.00 H new ATOM 0 HA PHE A 7 15.207 -3.250 -13.020 1.00 0.00 H new ATOM 0 HB2 PHE A 7 14.539 -0.293 -12.599 1.00 0.00 H new ATOM 0 HB3 PHE A 7 15.215 -0.935 -14.083 1.00 0.00 H new ATOM 0 HD1 PHE A 7 13.849 -3.518 -14.402 1.00 0.00 H new ATOM 0 HD2 PHE A 7 12.275 0.233 -13.051 1.00 0.00 H new ATOM 0 HE1 PHE A 7 11.593 -4.194 -15.151 1.00 0.00 H new ATOM 0 HE2 PHE A 7 10.023 -0.429 -13.851 1.00 0.00 H new ATOM 0 HZ PHE A 7 9.685 -2.639 -14.894 1.00 0.00 H new ATOM 118 N ALA A 8 17.573 -2.688 -12.879 1.00 0.00 N ATOM 119 CA ALA A 8 18.998 -2.459 -12.706 1.00 0.00 C ATOM 120 C ALA A 8 19.280 -0.982 -12.869 1.00 0.00 C ATOM 121 O ALA A 8 20.194 -0.432 -12.250 1.00 0.00 O ATOM 122 CB ALA A 8 19.791 -3.228 -13.761 1.00 0.00 C ATOM 0 H ALA A 8 17.334 -3.380 -13.589 1.00 0.00 H new ATOM 0 HA ALA A 8 19.295 -2.800 -11.714 1.00 0.00 H new ATOM 0 HB1 ALA A 8 20.856 -3.047 -13.619 1.00 0.00 H new ATOM 0 HB2 ALA A 8 19.588 -4.294 -13.663 1.00 0.00 H new ATOM 0 HB3 ALA A 8 19.495 -2.892 -14.755 1.00 0.00 H new ATOM 128 N ASN A 9 18.482 -0.347 -13.720 1.00 0.00 N ATOM 129 CA ASN A 9 18.638 1.068 -13.978 1.00 0.00 C ATOM 130 C ASN A 9 17.372 1.831 -13.641 1.00 0.00 C ATOM 131 O ASN A 9 16.262 1.331 -13.818 1.00 0.00 O ATOM 132 CB ASN A 9 18.982 1.315 -15.440 1.00 0.00 C ATOM 133 CG ASN A 9 20.471 1.123 -15.673 1.00 0.00 C ATOM 134 OD1 ASN A 9 21.286 1.594 -14.882 1.00 0.00 O ATOM 135 ND2 ASN A 9 20.879 0.464 -16.717 1.00 0.00 N ATOM 0 H ASN A 9 17.725 -0.793 -14.238 1.00 0.00 H new ATOM 0 HA ASN A 9 19.450 1.422 -13.343 1.00 0.00 H new ATOM 0 HB2 ASN A 9 18.417 0.631 -16.074 1.00 0.00 H new ATOM 0 HB3 ASN A 9 18.691 2.326 -15.723 1.00 0.00 H new ATOM 0 HD21 ASN A 9 21.878 0.337 -16.882 1.00 0.00 H new ATOM 0 HD22 ASN A 9 20.201 0.074 -17.371 1.00 0.00 H new ATOM 142 N PRO A 10 17.523 3.042 -13.196 1.00 0.00 N ATOM 143 CA PRO A 10 16.379 3.931 -12.864 1.00 0.00 C ATOM 144 C PRO A 10 15.774 4.488 -14.144 1.00 0.00 C ATOM 145 O PRO A 10 14.559 4.521 -14.301 1.00 0.00 O ATOM 146 CB PRO A 10 17.024 5.024 -12.030 1.00 0.00 C ATOM 147 CG PRO A 10 18.392 5.129 -12.600 1.00 0.00 C ATOM 148 CD PRO A 10 18.810 3.708 -12.950 1.00 0.00 C ATOM 0 HA PRO A 10 15.565 3.433 -12.337 1.00 0.00 H new ATOM 0 HB2 PRO A 10 16.481 5.966 -12.112 1.00 0.00 H new ATOM 0 HB3 PRO A 10 17.048 4.761 -10.972 1.00 0.00 H new ATOM 0 HG2 PRO A 10 18.399 5.767 -13.484 1.00 0.00 H new ATOM 0 HG3 PRO A 10 19.081 5.573 -11.882 1.00 0.00 H new ATOM 0 HD2 PRO A 10 19.454 3.681 -13.829 1.00 0.00 H new ATOM 0 HD3 PRO A 10 19.361 3.236 -12.136 1.00 0.00 H new ATOM 156 N ARG A 11 16.642 4.883 -15.078 1.00 0.00 N ATOM 157 CA ARG A 11 16.167 5.373 -16.367 1.00 0.00 C ATOM 158 C ARG A 11 15.306 4.269 -16.939 1.00 0.00 C ATOM 159 O ARG A 11 14.184 4.493 -17.402 1.00 0.00 O ATOM 160 CB ARG A 11 17.330 5.683 -17.323 1.00 0.00 C ATOM 161 CG ARG A 11 18.679 5.399 -16.651 1.00 0.00 C ATOM 162 CD ARG A 11 19.795 5.537 -17.691 1.00 0.00 C ATOM 163 NE ARG A 11 21.072 5.088 -17.137 1.00 0.00 N ATOM 164 CZ ARG A 11 22.004 4.525 -17.909 1.00 0.00 C ATOM 165 NH1 ARG A 11 21.763 4.305 -19.175 1.00 0.00 N ATOM 166 NH2 ARG A 11 23.145 4.170 -17.387 1.00 0.00 N ATOM 0 H ARG A 11 17.656 4.873 -14.968 1.00 0.00 H new ATOM 0 HA ARG A 11 15.614 6.304 -16.242 1.00 0.00 H new ATOM 0 HB2 ARG A 11 17.235 5.080 -18.226 1.00 0.00 H new ATOM 0 HB3 ARG A 11 17.285 6.728 -17.631 1.00 0.00 H new ATOM 0 HG2 ARG A 11 18.843 6.095 -15.828 1.00 0.00 H new ATOM 0 HG3 ARG A 11 18.683 4.396 -16.225 1.00 0.00 H new ATOM 0 HD2 ARG A 11 19.550 4.950 -18.576 1.00 0.00 H new ATOM 0 HD3 ARG A 11 19.876 6.576 -18.010 1.00 0.00 H new ATOM 0 HE ARG A 11 21.254 5.208 -16.141 1.00 0.00 H new ATOM 0 HH11 ARG A 11 20.861 4.564 -19.575 1.00 0.00 H new ATOM 0 HH12 ARG A 11 22.477 3.875 -19.763 1.00 0.00 H new ATOM 0 HH21 ARG A 11 23.321 4.323 -16.394 1.00 0.00 H new ATOM 0 HH22 ARG A 11 23.861 3.739 -17.972 1.00 0.00 H new ATOM 180 N VAL A 12 15.841 3.061 -16.809 1.00 0.00 N ATOM 181 CA VAL A 12 15.153 1.852 -17.215 1.00 0.00 C ATOM 182 C VAL A 12 13.808 1.830 -16.519 1.00 0.00 C ATOM 183 O VAL A 12 12.765 1.558 -17.112 1.00 0.00 O ATOM 184 CB VAL A 12 15.992 0.650 -16.740 1.00 0.00 C ATOM 185 CG1 VAL A 12 15.112 -0.563 -16.428 1.00 0.00 C ATOM 186 CG2 VAL A 12 17.017 0.273 -17.805 1.00 0.00 C ATOM 0 H VAL A 12 16.768 2.897 -16.417 1.00 0.00 H new ATOM 0 HA VAL A 12 15.018 1.811 -18.296 1.00 0.00 H new ATOM 0 HB VAL A 12 16.503 0.946 -15.824 1.00 0.00 H new ATOM 0 HG11 VAL A 12 15.738 -1.391 -16.096 1.00 0.00 H new ATOM 0 HG12 VAL A 12 14.403 -0.306 -15.641 1.00 0.00 H new ATOM 0 HG13 VAL A 12 14.567 -0.857 -17.325 1.00 0.00 H new ATOM 0 HG21 VAL A 12 17.605 -0.577 -17.459 1.00 0.00 H new ATOM 0 HG22 VAL A 12 16.502 0.007 -18.728 1.00 0.00 H new ATOM 0 HG23 VAL A 12 17.678 1.120 -17.990 1.00 0.00 H new ATOM 196 N ALA A 13 13.880 2.113 -15.232 1.00 0.00 N ATOM 197 CA ALA A 13 12.720 2.131 -14.376 1.00 0.00 C ATOM 198 C ALA A 13 11.758 3.227 -14.771 1.00 0.00 C ATOM 199 O ALA A 13 10.618 2.960 -15.152 1.00 0.00 O ATOM 200 CB ALA A 13 13.188 2.345 -12.932 1.00 0.00 C ATOM 0 H ALA A 13 14.752 2.337 -14.753 1.00 0.00 H new ATOM 0 HA ALA A 13 12.193 1.182 -14.473 1.00 0.00 H new ATOM 0 HB1 ALA A 13 12.324 2.362 -12.268 1.00 0.00 H new ATOM 0 HB2 ALA A 13 13.854 1.532 -12.641 1.00 0.00 H new ATOM 0 HB3 ALA A 13 13.720 3.293 -12.859 1.00 0.00 H new ATOM 206 N GLN A 14 12.221 4.456 -14.670 1.00 0.00 N ATOM 207 CA GLN A 14 11.396 5.593 -15.009 1.00 0.00 C ATOM 208 C GLN A 14 10.787 5.383 -16.388 1.00 0.00 C ATOM 209 O GLN A 14 9.604 5.624 -16.587 1.00 0.00 O ATOM 210 CB GLN A 14 12.223 6.873 -14.972 1.00 0.00 C ATOM 211 CG GLN A 14 12.751 7.095 -13.548 1.00 0.00 C ATOM 212 CD GLN A 14 14.031 7.914 -13.589 1.00 0.00 C ATOM 213 OE1 GLN A 14 14.065 9.049 -13.108 1.00 0.00 O ATOM 214 NE2 GLN A 14 15.098 7.406 -14.131 1.00 0.00 N ATOM 0 H GLN A 14 13.163 4.691 -14.356 1.00 0.00 H new ATOM 0 HA GLN A 14 10.592 5.689 -14.279 1.00 0.00 H new ATOM 0 HB2 GLN A 14 13.054 6.803 -15.674 1.00 0.00 H new ATOM 0 HB3 GLN A 14 11.614 7.722 -15.283 1.00 0.00 H new ATOM 0 HG2 GLN A 14 12.000 7.609 -12.949 1.00 0.00 H new ATOM 0 HG3 GLN A 14 12.939 6.135 -13.067 1.00 0.00 H new ATOM 0 HE21 GLN A 14 15.070 6.467 -14.529 1.00 0.00 H new ATOM 0 HE22 GLN A 14 15.963 7.946 -14.158 1.00 0.00 H new ATOM 223 N ALA A 15 11.599 4.900 -17.325 1.00 0.00 N ATOM 224 CA ALA A 15 11.109 4.635 -18.673 1.00 0.00 C ATOM 225 C ALA A 15 9.916 3.682 -18.621 1.00 0.00 C ATOM 226 O ALA A 15 8.883 3.930 -19.249 1.00 0.00 O ATOM 227 CB ALA A 15 12.215 4.013 -19.534 1.00 0.00 C ATOM 0 H ALA A 15 12.586 4.687 -17.178 1.00 0.00 H new ATOM 0 HA ALA A 15 10.800 5.582 -19.116 1.00 0.00 H new ATOM 0 HB1 ALA A 15 11.832 3.822 -20.536 1.00 0.00 H new ATOM 0 HB2 ALA A 15 13.060 4.700 -19.593 1.00 0.00 H new ATOM 0 HB3 ALA A 15 12.541 3.075 -19.085 1.00 0.00 H new ATOM 233 N PHE A 16 10.070 2.590 -17.874 1.00 0.00 N ATOM 234 CA PHE A 16 9.006 1.599 -17.747 1.00 0.00 C ATOM 235 C PHE A 16 7.795 2.190 -17.066 1.00 0.00 C ATOM 236 O PHE A 16 6.716 2.260 -17.645 1.00 0.00 O ATOM 237 CB PHE A 16 9.479 0.418 -16.915 1.00 0.00 C ATOM 238 CG PHE A 16 8.334 -0.556 -16.737 1.00 0.00 C ATOM 239 CD1 PHE A 16 7.760 -1.182 -17.850 1.00 0.00 C ATOM 240 CD2 PHE A 16 7.883 -0.870 -15.452 1.00 0.00 C ATOM 241 CE1 PHE A 16 6.747 -2.130 -17.674 1.00 0.00 C ATOM 242 CE2 PHE A 16 6.863 -1.807 -15.278 1.00 0.00 C ATOM 243 CZ PHE A 16 6.301 -2.445 -16.389 1.00 0.00 C ATOM 0 H PHE A 16 10.917 2.371 -17.350 1.00 0.00 H new ATOM 0 HA PHE A 16 8.743 1.275 -18.754 1.00 0.00 H new ATOM 0 HB2 PHE A 16 10.318 -0.075 -17.406 1.00 0.00 H new ATOM 0 HB3 PHE A 16 9.834 0.761 -15.943 1.00 0.00 H new ATOM 0 HD1 PHE A 16 8.100 -0.933 -18.845 1.00 0.00 H new ATOM 0 HD2 PHE A 16 8.324 -0.387 -14.593 1.00 0.00 H new ATOM 0 HE1 PHE A 16 6.310 -2.618 -18.532 1.00 0.00 H new ATOM 0 HE2 PHE A 16 6.507 -2.040 -14.285 1.00 0.00 H new ATOM 0 HZ PHE A 16 5.522 -3.181 -16.253 1.00 0.00 H new ATOM 253 N VAL A 17 7.974 2.606 -15.826 1.00 0.00 N ATOM 254 CA VAL A 17 6.875 3.182 -15.091 1.00 0.00 C ATOM 255 C VAL A 17 6.294 4.319 -15.904 1.00 0.00 C ATOM 256 O VAL A 17 5.083 4.471 -15.983 1.00 0.00 O ATOM 257 CB VAL A 17 7.355 3.663 -13.728 1.00 0.00 C ATOM 258 CG1 VAL A 17 8.155 2.539 -13.075 1.00 0.00 C ATOM 259 CG2 VAL A 17 8.235 4.888 -13.904 1.00 0.00 C ATOM 0 H VAL A 17 8.857 2.555 -15.317 1.00 0.00 H new ATOM 0 HA VAL A 17 6.099 2.435 -14.921 1.00 0.00 H new ATOM 0 HB VAL A 17 6.505 3.928 -13.099 1.00 0.00 H new ATOM 0 HG11 VAL A 17 8.508 2.865 -12.096 1.00 0.00 H new ATOM 0 HG12 VAL A 17 7.520 1.661 -12.958 1.00 0.00 H new ATOM 0 HG13 VAL A 17 9.009 2.288 -13.704 1.00 0.00 H new ATOM 0 HG21 VAL A 17 8.579 5.232 -12.929 1.00 0.00 H new ATOM 0 HG22 VAL A 17 9.095 4.632 -14.522 1.00 0.00 H new ATOM 0 HG23 VAL A 17 7.663 5.680 -14.388 1.00 0.00 H new ATOM 269 N ASP A 18 7.165 5.096 -16.551 1.00 0.00 N ATOM 270 CA ASP A 18 6.687 6.176 -17.394 1.00 0.00 C ATOM 271 C ASP A 18 5.825 5.552 -18.472 1.00 0.00 C ATOM 272 O ASP A 18 4.733 6.032 -18.783 1.00 0.00 O ATOM 273 CB ASP A 18 7.846 6.943 -18.039 1.00 0.00 C ATOM 274 CG ASP A 18 7.306 7.935 -19.058 1.00 0.00 C ATOM 275 OD1 ASP A 18 7.065 7.535 -20.181 1.00 0.00 O ATOM 276 OD2 ASP A 18 7.141 9.085 -18.702 1.00 0.00 O ATOM 0 H ASP A 18 8.179 4.997 -16.506 1.00 0.00 H new ATOM 0 HA ASP A 18 6.124 6.890 -16.793 1.00 0.00 H new ATOM 0 HB2 ASP A 18 8.416 7.469 -17.273 1.00 0.00 H new ATOM 0 HB3 ASP A 18 8.530 6.246 -18.524 1.00 0.00 H new ATOM 281 N TYR A 19 6.323 4.438 -19.003 1.00 0.00 N ATOM 282 CA TYR A 19 5.597 3.693 -20.009 1.00 0.00 C ATOM 283 C TYR A 19 4.300 3.200 -19.376 1.00 0.00 C ATOM 284 O TYR A 19 3.204 3.504 -19.842 1.00 0.00 O ATOM 285 CB TYR A 19 6.428 2.495 -20.508 1.00 0.00 C ATOM 286 CG TYR A 19 5.498 1.335 -20.730 1.00 0.00 C ATOM 287 CD1 TYR A 19 4.620 1.367 -21.810 1.00 0.00 C ATOM 288 CD2 TYR A 19 5.475 0.259 -19.838 1.00 0.00 C ATOM 289 CE1 TYR A 19 3.710 0.331 -22.005 1.00 0.00 C ATOM 290 CE2 TYR A 19 4.567 -0.788 -20.034 1.00 0.00 C ATOM 291 CZ TYR A 19 3.680 -0.749 -21.122 1.00 0.00 C ATOM 292 OH TYR A 19 2.771 -1.767 -21.323 1.00 0.00 O ATOM 0 H TYR A 19 7.226 4.038 -18.749 1.00 0.00 H new ATOM 0 HA TYR A 19 5.389 4.332 -20.867 1.00 0.00 H new ATOM 0 HB2 TYR A 19 6.944 2.750 -21.433 1.00 0.00 H new ATOM 0 HB3 TYR A 19 7.194 2.233 -19.778 1.00 0.00 H new ATOM 0 HD1 TYR A 19 4.645 2.198 -22.499 1.00 0.00 H new ATOM 0 HD2 TYR A 19 6.156 0.236 -19.000 1.00 0.00 H new ATOM 0 HE1 TYR A 19 3.027 0.364 -22.841 1.00 0.00 H new ATOM 0 HE2 TYR A 19 4.549 -1.624 -19.350 1.00 0.00 H new ATOM 0 HH TYR A 19 3.193 -2.628 -21.119 1.00 0.00 H new ATOM 302 N MET A 20 4.438 2.453 -18.288 1.00 0.00 N ATOM 303 CA MET A 20 3.278 1.947 -17.574 1.00 0.00 C ATOM 304 C MET A 20 2.349 3.118 -17.297 1.00 0.00 C ATOM 305 O MET A 20 1.143 3.059 -17.539 1.00 0.00 O ATOM 306 CB MET A 20 3.720 1.297 -16.265 1.00 0.00 C ATOM 307 CG MET A 20 4.630 0.112 -16.580 1.00 0.00 C ATOM 308 SD MET A 20 4.019 -1.359 -15.728 1.00 0.00 S ATOM 309 CE MET A 20 2.375 -1.395 -16.443 1.00 0.00 C ATOM 0 H MET A 20 5.336 2.187 -17.885 1.00 0.00 H new ATOM 0 HA MET A 20 2.760 1.195 -18.169 1.00 0.00 H new ATOM 0 HB2 MET A 20 4.247 2.022 -15.644 1.00 0.00 H new ATOM 0 HB3 MET A 20 2.851 0.964 -15.698 1.00 0.00 H new ATOM 0 HG2 MET A 20 4.658 -0.063 -17.656 1.00 0.00 H new ATOM 0 HG3 MET A 20 5.651 0.330 -16.266 1.00 0.00 H new ATOM 0 HE1 MET A 20 1.828 -2.254 -16.055 1.00 0.00 H new ATOM 0 HE2 MET A 20 1.845 -0.479 -16.182 1.00 0.00 H new ATOM 0 HE3 MET A 20 2.452 -1.473 -17.527 1.00 0.00 H new ATOM 319 N ALA A 21 2.946 4.196 -16.822 1.00 0.00 N ATOM 320 CA ALA A 21 2.217 5.415 -16.533 1.00 0.00 C ATOM 321 C ALA A 21 1.566 5.921 -17.808 1.00 0.00 C ATOM 322 O ALA A 21 0.487 6.504 -17.776 1.00 0.00 O ATOM 323 CB ALA A 21 3.178 6.458 -15.978 1.00 0.00 C ATOM 0 H ALA A 21 3.946 4.250 -16.627 1.00 0.00 H new ATOM 0 HA ALA A 21 1.442 5.220 -15.792 1.00 0.00 H new ATOM 0 HB1 ALA A 21 2.632 7.376 -15.760 1.00 0.00 H new ATOM 0 HB2 ALA A 21 3.635 6.081 -15.063 1.00 0.00 H new ATOM 0 HB3 ALA A 21 3.956 6.664 -16.714 1.00 0.00 H new ATOM 329 N THR A 22 2.211 5.647 -18.936 1.00 0.00 N ATOM 330 CA THR A 22 1.673 6.025 -20.217 1.00 0.00 C ATOM 331 C THR A 22 0.419 5.185 -20.425 1.00 0.00 C ATOM 332 O THR A 22 -0.606 5.667 -20.907 1.00 0.00 O ATOM 333 CB THR A 22 2.739 5.765 -21.290 1.00 0.00 C ATOM 334 OG1 THR A 22 3.001 6.966 -22.001 1.00 0.00 O ATOM 335 CG2 THR A 22 2.285 4.680 -22.263 1.00 0.00 C ATOM 0 H THR A 22 3.108 5.163 -18.979 1.00 0.00 H new ATOM 0 HA THR A 22 1.410 7.081 -20.275 1.00 0.00 H new ATOM 0 HB THR A 22 3.648 5.422 -20.796 1.00 0.00 H new ATOM 0 HG1 THR A 22 3.683 6.799 -22.685 1.00 0.00 H new ATOM 0 HG21 THR A 22 3.059 4.516 -23.012 1.00 0.00 H new ATOM 0 HG22 THR A 22 2.106 3.753 -21.717 1.00 0.00 H new ATOM 0 HG23 THR A 22 1.365 4.994 -22.755 1.00 0.00 H new ATOM 343 N GLN A 23 0.502 3.929 -19.976 1.00 0.00 N ATOM 344 CA GLN A 23 -0.633 3.021 -20.033 1.00 0.00 C ATOM 345 C GLN A 23 -1.630 3.446 -18.972 1.00 0.00 C ATOM 346 O GLN A 23 -2.683 2.828 -18.793 1.00 0.00 O ATOM 347 CB GLN A 23 -0.195 1.583 -19.750 1.00 0.00 C ATOM 348 CG GLN A 23 0.748 1.088 -20.854 1.00 0.00 C ATOM 349 CD GLN A 23 0.005 0.148 -21.800 1.00 0.00 C ATOM 350 OE1 GLN A 23 -1.113 0.453 -22.231 1.00 0.00 O ATOM 351 NE2 GLN A 23 0.547 -0.983 -22.140 1.00 0.00 N ATOM 0 H GLN A 23 1.346 3.524 -19.570 1.00 0.00 H new ATOM 0 HA GLN A 23 -1.074 3.059 -21.029 1.00 0.00 H new ATOM 0 HB2 GLN A 23 0.307 1.532 -18.784 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -1.069 0.934 -19.690 1.00 0.00 H new ATOM 0 HG2 GLN A 23 1.145 1.937 -21.411 1.00 0.00 H new ATOM 0 HG3 GLN A 23 1.599 0.571 -20.411 1.00 0.00 H new ATOM 0 HE21 GLN A 23 1.469 -1.234 -21.784 1.00 0.00 H new ATOM 0 HE22 GLN A 23 0.050 -1.620 -22.763 1.00 0.00 H new ATOM 360 N GLY A 24 -1.260 4.487 -18.244 1.00 0.00 N ATOM 361 CA GLY A 24 -2.078 4.992 -17.162 1.00 0.00 C ATOM 362 C GLY A 24 -1.787 4.185 -15.916 1.00 0.00 C ATOM 363 O GLY A 24 -2.416 4.357 -14.876 1.00 0.00 O ATOM 0 H GLY A 24 -0.390 5.000 -18.388 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -1.865 6.047 -16.987 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.134 4.919 -17.421 1.00 0.00 H new ATOM 367 N VAL A 25 -0.814 3.302 -16.049 1.00 0.00 N ATOM 368 CA VAL A 25 -0.382 2.440 -14.968 1.00 0.00 C ATOM 369 C VAL A 25 0.747 3.115 -14.225 1.00 0.00 C ATOM 370 O VAL A 25 1.860 3.245 -14.724 1.00 0.00 O ATOM 371 CB VAL A 25 0.071 1.118 -15.562 1.00 0.00 C ATOM 372 CG1 VAL A 25 0.179 0.095 -14.456 1.00 0.00 C ATOM 373 CG2 VAL A 25 -0.943 0.645 -16.618 1.00 0.00 C ATOM 0 H VAL A 25 -0.298 3.163 -16.918 1.00 0.00 H new ATOM 0 HA VAL A 25 -1.195 2.254 -14.266 1.00 0.00 H new ATOM 0 HB VAL A 25 1.042 1.243 -16.041 1.00 0.00 H new ATOM 0 HG11 VAL A 25 0.504 -0.858 -14.873 1.00 0.00 H new ATOM 0 HG12 VAL A 25 0.905 0.434 -13.716 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -0.793 -0.030 -13.980 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.612 -0.304 -17.040 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.920 0.514 -16.152 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.016 1.389 -17.411 1.00 0.00 H new ATOM 383 N ILE A 26 0.422 3.593 -13.052 1.00 0.00 N ATOM 384 CA ILE A 26 1.372 4.330 -12.263 1.00 0.00 C ATOM 385 C ILE A 26 2.334 3.463 -11.472 1.00 0.00 C ATOM 386 O ILE A 26 1.992 2.942 -10.407 1.00 0.00 O ATOM 387 CB ILE A 26 0.631 5.235 -11.298 1.00 0.00 C ATOM 388 CG1 ILE A 26 -0.598 5.856 -11.988 1.00 0.00 C ATOM 389 CG2 ILE A 26 1.593 6.324 -10.856 1.00 0.00 C ATOM 390 CD1 ILE A 26 -1.813 4.939 -11.808 1.00 0.00 C ATOM 0 H ILE A 26 -0.496 3.484 -12.622 1.00 0.00 H new ATOM 0 HA ILE A 26 1.973 4.898 -12.973 1.00 0.00 H new ATOM 0 HB ILE A 26 0.279 4.667 -10.437 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.806 6.839 -11.565 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -0.395 6.003 -13.049 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.089 6.994 -10.159 1.00 0.00 H new ATOM 0 HG22 ILE A 26 2.455 5.871 -10.365 1.00 0.00 H new ATOM 0 HG23 ILE A 26 1.927 6.890 -11.726 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -2.680 5.383 -12.298 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.604 3.966 -12.253 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -2.021 4.815 -10.745 1.00 0.00 H new ATOM 402 N LEU A 27 3.563 3.409 -11.948 1.00 0.00 N ATOM 403 CA LEU A 27 4.607 2.717 -11.232 1.00 0.00 C ATOM 404 C LEU A 27 5.447 3.797 -10.589 1.00 0.00 C ATOM 405 O LEU A 27 5.016 4.949 -10.520 1.00 0.00 O ATOM 406 CB LEU A 27 5.489 1.873 -12.144 1.00 0.00 C ATOM 407 CG LEU A 27 4.956 0.449 -12.207 1.00 0.00 C ATOM 408 CD1 LEU A 27 4.616 0.117 -13.649 1.00 0.00 C ATOM 409 CD2 LEU A 27 6.036 -0.513 -11.719 1.00 0.00 C ATOM 0 H LEU A 27 3.859 3.836 -12.826 1.00 0.00 H new ATOM 0 HA LEU A 27 4.165 2.028 -10.512 1.00 0.00 H new ATOM 0 HB2 LEU A 27 5.513 2.306 -13.144 1.00 0.00 H new ATOM 0 HB3 LEU A 27 6.514 1.871 -11.773 1.00 0.00 H new ATOM 0 HG LEU A 27 4.069 0.357 -11.581 1.00 0.00 H new ATOM 0 HD11 LEU A 27 4.233 -0.902 -13.707 1.00 0.00 H new ATOM 0 HD12 LEU A 27 3.859 0.811 -14.013 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.512 0.203 -14.263 1.00 0.00 H new ATOM 0 HD21 LEU A 27 5.659 -1.535 -11.762 1.00 0.00 H new ATOM 0 HD22 LEU A 27 6.917 -0.424 -12.355 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.304 -0.268 -10.691 1.00 0.00 H new ATOM 421 N THR A 28 6.642 3.450 -10.167 1.00 0.00 N ATOM 422 CA THR A 28 7.543 4.417 -9.574 1.00 0.00 C ATOM 423 C THR A 28 8.807 3.697 -9.148 1.00 0.00 C ATOM 424 O THR A 28 8.797 2.481 -8.962 1.00 0.00 O ATOM 425 CB THR A 28 6.905 5.104 -8.353 1.00 0.00 C ATOM 426 OG1 THR A 28 5.946 6.066 -8.774 1.00 0.00 O ATOM 427 CG2 THR A 28 7.975 5.821 -7.528 1.00 0.00 C ATOM 0 H THR A 28 7.015 2.502 -10.223 1.00 0.00 H new ATOM 0 HA THR A 28 7.767 5.188 -10.311 1.00 0.00 H new ATOM 0 HB THR A 28 6.422 4.336 -7.749 1.00 0.00 H new ATOM 0 HG1 THR A 28 5.681 5.881 -9.699 1.00 0.00 H new ATOM 0 HG21 THR A 28 7.509 6.302 -6.668 1.00 0.00 H new ATOM 0 HG22 THR A 28 8.714 5.098 -7.183 1.00 0.00 H new ATOM 0 HG23 THR A 28 8.465 6.575 -8.144 1.00 0.00 H new ATOM 435 N ILE A 29 9.885 4.441 -8.999 1.00 0.00 N ATOM 436 CA ILE A 29 11.145 3.848 -8.598 1.00 0.00 C ATOM 437 C ILE A 29 11.386 4.051 -7.111 1.00 0.00 C ATOM 438 O ILE A 29 11.330 5.175 -6.611 1.00 0.00 O ATOM 439 CB ILE A 29 12.305 4.469 -9.388 1.00 0.00 C ATOM 440 CG1 ILE A 29 11.778 5.129 -10.664 1.00 0.00 C ATOM 441 CG2 ILE A 29 13.302 3.375 -9.771 1.00 0.00 C ATOM 442 CD1 ILE A 29 11.151 4.071 -11.573 1.00 0.00 C ATOM 0 H ILE A 29 9.914 5.450 -9.148 1.00 0.00 H new ATOM 0 HA ILE A 29 11.094 2.780 -8.809 1.00 0.00 H new ATOM 0 HB ILE A 29 12.794 5.220 -8.767 1.00 0.00 H new ATOM 0 HG12 ILE A 29 11.039 5.890 -10.412 1.00 0.00 H new ATOM 0 HG13 ILE A 29 12.591 5.634 -11.186 1.00 0.00 H new ATOM 0 HG21 ILE A 29 14.127 3.814 -10.332 1.00 0.00 H new ATOM 0 HG22 ILE A 29 13.689 2.903 -8.868 1.00 0.00 H new ATOM 0 HG23 ILE A 29 12.802 2.627 -10.386 1.00 0.00 H new ATOM 0 HD11 ILE A 29 10.777 4.546 -12.480 1.00 0.00 H new ATOM 0 HD12 ILE A 29 11.902 3.326 -11.836 1.00 0.00 H new ATOM 0 HD13 ILE A 29 10.326 3.586 -11.051 1.00 0.00 H new ATOM 454 N GLN A 30 11.690 2.964 -6.419 1.00 0.00 N ATOM 455 CA GLN A 30 11.984 3.034 -4.997 1.00 0.00 C ATOM 456 C GLN A 30 13.498 3.132 -4.857 1.00 0.00 C ATOM 457 O GLN A 30 14.227 2.266 -5.344 1.00 0.00 O ATOM 458 CB GLN A 30 11.450 1.788 -4.273 1.00 0.00 C ATOM 459 CG GLN A 30 10.061 2.065 -3.691 1.00 0.00 C ATOM 460 CD GLN A 30 10.161 3.002 -2.497 1.00 0.00 C ATOM 461 OE1 GLN A 30 10.752 2.653 -1.472 1.00 0.00 O ATOM 462 NE2 GLN A 30 9.616 4.178 -2.569 1.00 0.00 N ATOM 0 H GLN A 30 11.739 2.026 -6.817 1.00 0.00 H new ATOM 0 HA GLN A 30 11.500 3.900 -4.545 1.00 0.00 H new ATOM 0 HB2 GLN A 30 11.400 0.949 -4.967 1.00 0.00 H new ATOM 0 HB3 GLN A 30 12.135 1.501 -3.475 1.00 0.00 H new ATOM 0 HG2 GLN A 30 9.422 2.507 -4.455 1.00 0.00 H new ATOM 0 HG3 GLN A 30 9.594 1.128 -3.387 1.00 0.00 H new ATOM 0 HE21 GLN A 30 9.128 4.463 -3.418 1.00 0.00 H new ATOM 0 HE22 GLN A 30 9.676 4.817 -1.776 1.00 0.00 H new ATOM 471 N GLN A 31 13.970 4.208 -4.245 1.00 0.00 N ATOM 472 CA GLN A 31 15.405 4.428 -4.110 1.00 0.00 C ATOM 473 C GLN A 31 16.087 3.256 -3.418 1.00 0.00 C ATOM 474 O GLN A 31 15.924 3.046 -2.213 1.00 0.00 O ATOM 475 CB GLN A 31 15.662 5.716 -3.325 1.00 0.00 C ATOM 476 CG GLN A 31 17.068 6.242 -3.639 1.00 0.00 C ATOM 477 CD GLN A 31 16.987 7.377 -4.653 1.00 0.00 C ATOM 478 OE1 GLN A 31 17.752 8.340 -4.571 1.00 0.00 O ATOM 479 NE2 GLN A 31 16.100 7.325 -5.605 1.00 0.00 N ATOM 0 H GLN A 31 13.387 4.938 -3.836 1.00 0.00 H new ATOM 0 HA GLN A 31 15.826 4.518 -5.111 1.00 0.00 H new ATOM 0 HB2 GLN A 31 14.916 6.467 -3.585 1.00 0.00 H new ATOM 0 HB3 GLN A 31 15.564 5.527 -2.256 1.00 0.00 H new ATOM 0 HG2 GLN A 31 17.546 6.594 -2.725 1.00 0.00 H new ATOM 0 HG3 GLN A 31 17.687 5.436 -4.032 1.00 0.00 H new ATOM 0 HE21 GLN A 31 15.468 6.527 -5.670 1.00 0.00 H new ATOM 0 HE22 GLN A 31 16.037 8.082 -6.285 1.00 0.00 H new ATOM 488 N HIS A 32 16.864 2.510 -4.195 1.00 0.00 N ATOM 489 CA HIS A 32 17.598 1.357 -3.683 1.00 0.00 C ATOM 490 C HIS A 32 18.745 1.018 -4.631 1.00 0.00 C ATOM 491 O HIS A 32 19.032 1.772 -5.566 1.00 0.00 O ATOM 492 CB HIS A 32 16.666 0.147 -3.550 1.00 0.00 C ATOM 493 CG HIS A 32 16.364 -0.105 -2.096 1.00 0.00 C ATOM 494 ND1 HIS A 32 15.871 0.885 -1.260 1.00 0.00 N ATOM 495 CD2 HIS A 32 16.487 -1.228 -1.311 1.00 0.00 C ATOM 496 CE1 HIS A 32 15.713 0.345 -0.036 1.00 0.00 C ATOM 497 NE2 HIS A 32 16.068 -0.942 -0.013 1.00 0.00 N ATOM 0 H HIS A 32 17.003 2.685 -5.190 1.00 0.00 H new ATOM 0 HA HIS A 32 17.997 1.603 -2.699 1.00 0.00 H new ATOM 0 HB2 HIS A 32 15.741 0.327 -4.098 1.00 0.00 H new ATOM 0 HB3 HIS A 32 17.132 -0.733 -3.992 1.00 0.00 H new ATOM 0 HD1 HIS A 32 15.665 1.848 -1.524 1.00 0.00 H new ATOM 0 HD2 HIS A 32 16.853 -2.186 -1.649 1.00 0.00 H new ATOM 0 HE1 HIS A 32 15.344 0.887 0.822 1.00 0.00 H new ATOM 505 N ASN A 33 19.391 -0.118 -4.399 1.00 0.00 N ATOM 506 CA ASN A 33 20.491 -0.537 -5.255 1.00 0.00 C ATOM 507 C ASN A 33 19.979 -0.823 -6.666 1.00 0.00 C ATOM 508 O ASN A 33 20.591 -0.409 -7.654 1.00 0.00 O ATOM 509 CB ASN A 33 21.155 -1.788 -4.676 1.00 0.00 C ATOM 510 CG ASN A 33 22.019 -2.468 -5.732 1.00 0.00 C ATOM 511 OD1 ASN A 33 22.927 -1.849 -6.290 1.00 0.00 O ATOM 512 ND2 ASN A 33 21.790 -3.713 -6.047 1.00 0.00 N ATOM 0 H ASN A 33 19.175 -0.758 -3.635 1.00 0.00 H new ATOM 0 HA ASN A 33 21.227 0.266 -5.303 1.00 0.00 H new ATOM 0 HB2 ASN A 33 21.767 -1.518 -3.815 1.00 0.00 H new ATOM 0 HB3 ASN A 33 20.392 -2.481 -4.320 1.00 0.00 H new ATOM 0 HD21 ASN A 33 22.362 -4.174 -6.755 1.00 0.00 H new ATOM 0 HD22 ASN A 33 21.039 -4.226 -5.586 1.00 0.00 H new ATOM 519 N GLN A 34 18.854 -1.527 -6.752 1.00 0.00 N ATOM 520 CA GLN A 34 18.259 -1.864 -8.044 1.00 0.00 C ATOM 521 C GLN A 34 16.886 -1.220 -8.178 1.00 0.00 C ATOM 522 O GLN A 34 15.900 -1.757 -7.685 1.00 0.00 O ATOM 523 CB GLN A 34 18.126 -3.387 -8.184 1.00 0.00 C ATOM 524 CG GLN A 34 19.513 -4.016 -8.357 1.00 0.00 C ATOM 525 CD GLN A 34 19.450 -5.506 -8.037 1.00 0.00 C ATOM 526 OE1 GLN A 34 19.974 -5.946 -7.012 1.00 0.00 O ATOM 527 NE2 GLN A 34 18.831 -6.313 -8.846 1.00 0.00 N ATOM 0 H GLN A 34 18.336 -1.875 -5.945 1.00 0.00 H new ATOM 0 HA GLN A 34 18.910 -1.485 -8.832 1.00 0.00 H new ATOM 0 HB2 GLN A 34 17.636 -3.801 -7.303 1.00 0.00 H new ATOM 0 HB3 GLN A 34 17.497 -3.629 -9.041 1.00 0.00 H new ATOM 0 HG2 GLN A 34 19.864 -3.869 -9.378 1.00 0.00 H new ATOM 0 HG3 GLN A 34 20.230 -3.524 -7.700 1.00 0.00 H new ATOM 0 HE21 GLN A 34 18.397 -5.950 -9.695 1.00 0.00 H new ATOM 0 HE22 GLN A 34 18.779 -7.309 -8.632 1.00 0.00 H new ATOM 536 N SER A 35 16.846 -0.079 -8.857 1.00 0.00 N ATOM 537 CA SER A 35 15.607 0.668 -9.092 1.00 0.00 C ATOM 538 C SER A 35 14.358 -0.168 -8.841 1.00 0.00 C ATOM 539 O SER A 35 13.737 -0.664 -9.785 1.00 0.00 O ATOM 540 CB SER A 35 15.619 1.160 -10.530 1.00 0.00 C ATOM 541 OG SER A 35 16.959 1.150 -11.012 1.00 0.00 O ATOM 0 H SER A 35 17.673 0.359 -9.263 1.00 0.00 H new ATOM 0 HA SER A 35 15.569 1.500 -8.389 1.00 0.00 H new ATOM 0 HB2 SER A 35 14.991 0.522 -11.151 1.00 0.00 H new ATOM 0 HB3 SER A 35 15.206 2.167 -10.587 1.00 0.00 H new ATOM 0 HG SER A 35 17.153 0.280 -11.420 1.00 0.00 H new ATOM 547 N ASP A 36 13.965 -0.298 -7.574 1.00 0.00 N ATOM 548 CA ASP A 36 12.758 -1.045 -7.264 1.00 0.00 C ATOM 549 C ASP A 36 11.609 -0.314 -7.891 1.00 0.00 C ATOM 550 O ASP A 36 11.477 0.899 -7.740 1.00 0.00 O ATOM 551 CB ASP A 36 12.524 -1.163 -5.763 1.00 0.00 C ATOM 552 CG ASP A 36 13.236 -2.386 -5.213 1.00 0.00 C ATOM 553 OD1 ASP A 36 13.021 -3.463 -5.738 1.00 0.00 O ATOM 554 OD2 ASP A 36 13.975 -2.236 -4.261 1.00 0.00 O ATOM 0 H ASP A 36 14.453 0.094 -6.769 1.00 0.00 H new ATOM 0 HA ASP A 36 12.856 -2.059 -7.652 1.00 0.00 H new ATOM 0 HB2 ASP A 36 12.886 -0.266 -5.260 1.00 0.00 H new ATOM 0 HB3 ASP A 36 11.456 -1.233 -5.559 1.00 0.00 H new ATOM 559 N VAL A 37 10.802 -1.040 -8.613 1.00 0.00 N ATOM 560 CA VAL A 37 9.683 -0.447 -9.290 1.00 0.00 C ATOM 561 C VAL A 37 8.393 -0.861 -8.619 1.00 0.00 C ATOM 562 O VAL A 37 7.988 -2.029 -8.661 1.00 0.00 O ATOM 563 CB VAL A 37 9.707 -0.857 -10.759 1.00 0.00 C ATOM 564 CG1 VAL A 37 9.595 0.391 -11.629 1.00 0.00 C ATOM 565 CG2 VAL A 37 11.034 -1.555 -11.066 1.00 0.00 C ATOM 0 H VAL A 37 10.899 -2.046 -8.748 1.00 0.00 H new ATOM 0 HA VAL A 37 9.749 0.640 -9.236 1.00 0.00 H new ATOM 0 HB VAL A 37 8.876 -1.531 -10.964 1.00 0.00 H new ATOM 0 HG11 VAL A 37 9.612 0.104 -12.680 1.00 0.00 H new ATOM 0 HG12 VAL A 37 8.660 0.906 -11.408 1.00 0.00 H new ATOM 0 HG13 VAL A 37 10.433 1.056 -11.421 1.00 0.00 H new ATOM 0 HG21 VAL A 37 11.056 -1.850 -12.115 1.00 0.00 H new ATOM 0 HG22 VAL A 37 11.859 -0.872 -10.864 1.00 0.00 H new ATOM 0 HG23 VAL A 37 11.133 -2.440 -10.438 1.00 0.00 H new ATOM 575 N TRP A 38 7.770 0.110 -7.983 1.00 0.00 N ATOM 576 CA TRP A 38 6.534 -0.113 -7.268 1.00 0.00 C ATOM 577 C TRP A 38 5.346 0.300 -8.118 1.00 0.00 C ATOM 578 O TRP A 38 5.467 1.178 -8.973 1.00 0.00 O ATOM 579 CB TRP A 38 6.547 0.716 -5.989 1.00 0.00 C ATOM 580 CG TRP A 38 7.328 0.012 -4.946 1.00 0.00 C ATOM 581 CD1 TRP A 38 8.599 -0.440 -5.055 1.00 0.00 C ATOM 582 CD2 TRP A 38 6.885 -0.317 -3.625 1.00 0.00 C ATOM 583 NE1 TRP A 38 8.955 -1.027 -3.851 1.00 0.00 N ATOM 584 CE2 TRP A 38 7.920 -0.978 -2.939 1.00 0.00 C ATOM 585 CE3 TRP A 38 5.676 -0.103 -2.977 1.00 0.00 C ATOM 586 CZ2 TRP A 38 7.756 -1.407 -1.625 1.00 0.00 C ATOM 587 CZ3 TRP A 38 5.497 -0.527 -1.673 1.00 0.00 C ATOM 588 CH2 TRP A 38 6.531 -1.184 -0.987 1.00 0.00 C ATOM 0 H TRP A 38 8.106 1.072 -7.948 1.00 0.00 H new ATOM 0 HA TRP A 38 6.445 -1.174 -7.032 1.00 0.00 H new ATOM 0 HB2 TRP A 38 6.983 1.696 -6.184 1.00 0.00 H new ATOM 0 HB3 TRP A 38 5.527 0.884 -5.642 1.00 0.00 H new ATOM 0 HD1 TRP A 38 9.227 -0.358 -5.929 1.00 0.00 H new ATOM 0 HE1 TRP A 38 9.867 -1.443 -3.663 1.00 0.00 H new ATOM 0 HE3 TRP A 38 4.871 0.397 -3.494 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 8.562 -1.904 -1.106 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 4.553 -0.351 -1.178 1.00 0.00 H new ATOM 0 HH2 TRP A 38 6.381 -1.516 0.030 1.00 0.00 H new ATOM 599 N LEU A 39 4.196 -0.309 -7.858 1.00 0.00 N ATOM 600 CA LEU A 39 2.990 0.035 -8.585 1.00 0.00 C ATOM 601 C LEU A 39 2.073 0.809 -7.678 1.00 0.00 C ATOM 602 O LEU A 39 1.880 0.453 -6.512 1.00 0.00 O ATOM 603 CB LEU A 39 2.247 -1.200 -9.087 1.00 0.00 C ATOM 604 CG LEU A 39 0.927 -0.765 -9.718 1.00 0.00 C ATOM 605 CD1 LEU A 39 1.196 -0.042 -11.036 1.00 0.00 C ATOM 606 CD2 LEU A 39 0.083 -1.989 -9.990 1.00 0.00 C ATOM 0 H LEU A 39 4.077 -1.037 -7.154 1.00 0.00 H new ATOM 0 HA LEU A 39 3.285 0.628 -9.450 1.00 0.00 H new ATOM 0 HB2 LEU A 39 2.855 -1.734 -9.817 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.061 -1.888 -8.263 1.00 0.00 H new ATOM 0 HG LEU A 39 0.405 -0.093 -9.037 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.250 0.266 -11.482 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.813 0.837 -10.849 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.718 -0.713 -11.719 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.862 -1.686 -10.441 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.614 -2.653 -10.672 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.113 -2.511 -9.054 1.00 0.00 H new ATOM 618 N ALA A 40 1.489 1.842 -8.229 1.00 0.00 N ATOM 619 CA ALA A 40 0.560 2.663 -7.492 1.00 0.00 C ATOM 620 C ALA A 40 -0.839 2.274 -7.914 1.00 0.00 C ATOM 621 O ALA A 40 -1.764 2.226 -7.109 1.00 0.00 O ATOM 622 CB ALA A 40 0.816 4.132 -7.795 1.00 0.00 C ATOM 0 H ALA A 40 1.641 2.137 -9.193 1.00 0.00 H new ATOM 0 HA ALA A 40 0.682 2.512 -6.419 1.00 0.00 H new ATOM 0 HB1 ALA A 40 0.111 4.747 -7.235 1.00 0.00 H new ATOM 0 HB2 ALA A 40 1.834 4.391 -7.505 1.00 0.00 H new ATOM 0 HB3 ALA A 40 0.686 4.311 -8.862 1.00 0.00 H new ATOM 628 N ASP A 41 -0.974 1.968 -9.192 1.00 0.00 N ATOM 629 CA ASP A 41 -2.250 1.545 -9.730 1.00 0.00 C ATOM 630 C ASP A 41 -2.462 0.080 -9.419 1.00 0.00 C ATOM 631 O ASP A 41 -2.618 -0.710 -10.326 1.00 0.00 O ATOM 632 CB ASP A 41 -2.273 1.716 -11.251 1.00 0.00 C ATOM 633 CG ASP A 41 -3.716 1.845 -11.726 1.00 0.00 C ATOM 634 OD1 ASP A 41 -4.581 1.232 -11.126 1.00 0.00 O ATOM 635 OD2 ASP A 41 -3.945 2.552 -12.685 1.00 0.00 O ATOM 0 H ASP A 41 -0.216 2.005 -9.874 1.00 0.00 H new ATOM 0 HA ASP A 41 -3.034 2.155 -9.280 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -1.704 2.601 -11.537 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -1.796 0.862 -11.731 1.00 0.00 H new ATOM 640 N GLU A 42 -2.433 -0.292 -8.147 1.00 0.00 N ATOM 641 CA GLU A 42 -2.595 -1.694 -7.762 1.00 0.00 C ATOM 642 C GLU A 42 -3.574 -2.432 -8.664 1.00 0.00 C ATOM 643 O GLU A 42 -3.383 -3.614 -8.957 1.00 0.00 O ATOM 644 CB GLU A 42 -3.003 -1.783 -6.302 1.00 0.00 C ATOM 645 CG GLU A 42 -1.730 -1.673 -5.470 1.00 0.00 C ATOM 646 CD GLU A 42 -2.065 -1.380 -4.012 1.00 0.00 C ATOM 647 OE1 GLU A 42 -2.660 -2.231 -3.382 1.00 0.00 O ATOM 648 OE2 GLU A 42 -1.730 -0.307 -3.545 1.00 0.00 O ATOM 0 H GLU A 42 -2.300 0.350 -7.366 1.00 0.00 H new ATOM 0 HA GLU A 42 -1.634 -2.192 -7.889 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.699 -0.984 -6.048 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -3.513 -2.725 -6.102 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -1.163 -2.601 -5.539 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -1.096 -0.882 -5.869 1.00 0.00 H new ATOM 655 N SER A 43 -4.574 -1.731 -9.158 1.00 0.00 N ATOM 656 CA SER A 43 -5.516 -2.337 -10.085 1.00 0.00 C ATOM 657 C SER A 43 -4.731 -2.956 -11.235 1.00 0.00 C ATOM 658 O SER A 43 -5.179 -3.878 -11.919 1.00 0.00 O ATOM 659 CB SER A 43 -6.423 -1.255 -10.648 1.00 0.00 C ATOM 660 OG SER A 43 -6.248 -0.055 -9.898 1.00 0.00 O ATOM 0 H SER A 43 -4.757 -0.752 -8.938 1.00 0.00 H new ATOM 0 HA SER A 43 -6.110 -3.095 -9.574 1.00 0.00 H new ATOM 0 HB2 SER A 43 -6.189 -1.078 -11.698 1.00 0.00 H new ATOM 0 HB3 SER A 43 -7.463 -1.577 -10.603 1.00 0.00 H new ATOM 0 HG SER A 43 -5.910 0.652 -10.486 1.00 0.00 H new ATOM 666 N GLN A 44 -3.557 -2.389 -11.430 1.00 0.00 N ATOM 667 CA GLN A 44 -2.636 -2.772 -12.475 1.00 0.00 C ATOM 668 C GLN A 44 -1.541 -3.696 -11.952 1.00 0.00 C ATOM 669 O GLN A 44 -0.735 -4.195 -12.727 1.00 0.00 O ATOM 670 CB GLN A 44 -1.984 -1.505 -13.013 1.00 0.00 C ATOM 671 CG GLN A 44 -3.013 -0.619 -13.719 1.00 0.00 C ATOM 672 CD GLN A 44 -3.792 -1.407 -14.768 1.00 0.00 C ATOM 673 OE1 GLN A 44 -3.323 -2.430 -15.256 1.00 0.00 O ATOM 674 NE2 GLN A 44 -4.963 -0.988 -15.145 1.00 0.00 N ATOM 0 H GLN A 44 -3.210 -1.627 -10.847 1.00 0.00 H new ATOM 0 HA GLN A 44 -3.188 -3.305 -13.249 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -1.523 -0.952 -12.194 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -1.187 -1.768 -13.708 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -3.704 -0.204 -12.985 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -2.508 0.222 -14.193 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -5.355 -0.138 -14.741 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -5.490 -1.510 -15.845 1.00 0.00 H new ATOM 683 N ALA A 45 -1.500 -3.895 -10.639 1.00 0.00 N ATOM 684 CA ALA A 45 -0.476 -4.745 -10.025 1.00 0.00 C ATOM 685 C ALA A 45 -0.187 -5.928 -10.900 1.00 0.00 C ATOM 686 O ALA A 45 0.886 -6.044 -11.481 1.00 0.00 O ATOM 687 CB ALA A 45 -0.992 -5.258 -8.694 1.00 0.00 C ATOM 0 H ALA A 45 -2.159 -3.483 -9.978 1.00 0.00 H new ATOM 0 HA ALA A 45 0.432 -4.158 -9.891 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -0.236 -5.892 -8.230 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -1.210 -4.415 -8.039 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -1.901 -5.837 -8.855 1.00 0.00 H new ATOM 693 N GLU A 46 -1.171 -6.781 -10.996 1.00 0.00 N ATOM 694 CA GLU A 46 -1.076 -7.967 -11.809 1.00 0.00 C ATOM 695 C GLU A 46 -0.607 -7.601 -13.207 1.00 0.00 C ATOM 696 O GLU A 46 0.303 -8.212 -13.758 1.00 0.00 O ATOM 697 CB GLU A 46 -2.461 -8.581 -11.888 1.00 0.00 C ATOM 698 CG GLU A 46 -3.434 -7.528 -12.432 1.00 0.00 C ATOM 699 CD GLU A 46 -4.853 -7.884 -12.033 1.00 0.00 C ATOM 700 OE1 GLU A 46 -5.453 -8.696 -12.710 1.00 0.00 O ATOM 701 OE2 GLU A 46 -5.321 -7.339 -11.053 1.00 0.00 O ATOM 0 H GLU A 46 -2.063 -6.675 -10.513 1.00 0.00 H new ATOM 0 HA GLU A 46 -0.363 -8.668 -11.375 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -2.450 -9.457 -12.537 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -2.782 -8.919 -10.902 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -3.173 -6.544 -12.043 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -3.355 -7.473 -13.518 1.00 0.00 H new ATOM 708 N ARG A 47 -1.244 -6.577 -13.755 1.00 0.00 N ATOM 709 CA ARG A 47 -0.917 -6.087 -15.077 1.00 0.00 C ATOM 710 C ARG A 47 0.548 -5.786 -15.142 1.00 0.00 C ATOM 711 O ARG A 47 1.299 -6.392 -15.893 1.00 0.00 O ATOM 712 CB ARG A 47 -1.701 -4.808 -15.348 1.00 0.00 C ATOM 713 CG ARG A 47 -1.832 -4.585 -16.847 1.00 0.00 C ATOM 714 CD ARG A 47 -1.195 -3.240 -17.163 1.00 0.00 C ATOM 715 NE ARG A 47 -0.965 -3.074 -18.591 1.00 0.00 N ATOM 716 CZ ARG A 47 -1.952 -2.781 -19.435 1.00 0.00 C ATOM 717 NH1 ARG A 47 -3.181 -2.694 -18.999 1.00 0.00 N ATOM 718 NH2 ARG A 47 -1.686 -2.590 -20.700 1.00 0.00 N ATOM 0 H ARG A 47 -1.998 -6.067 -13.295 1.00 0.00 H new ATOM 0 HA ARG A 47 -1.173 -6.841 -15.821 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -2.690 -4.875 -14.894 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -1.196 -3.958 -14.888 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -1.336 -5.384 -17.399 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -2.880 -4.593 -17.146 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -1.840 -2.439 -16.803 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -0.249 -3.151 -16.629 1.00 0.00 H new ATOM 0 HE ARG A 47 -0.019 -3.186 -18.956 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -3.384 -2.851 -18.012 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -3.937 -2.469 -19.646 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -0.726 -2.666 -21.036 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -2.438 -2.365 -21.351 1.00 0.00 H new ATOM 732 N VAL A 48 0.927 -4.853 -14.318 1.00 0.00 N ATOM 733 CA VAL A 48 2.290 -4.435 -14.210 1.00 0.00 C ATOM 734 C VAL A 48 3.158 -5.619 -13.866 1.00 0.00 C ATOM 735 O VAL A 48 4.040 -5.998 -14.631 1.00 0.00 O ATOM 736 CB VAL A 48 2.332 -3.386 -13.126 1.00 0.00 C ATOM 737 CG1 VAL A 48 3.731 -2.816 -13.033 1.00 0.00 C ATOM 738 CG2 VAL A 48 1.339 -2.296 -13.506 1.00 0.00 C ATOM 0 H VAL A 48 0.289 -4.357 -13.696 1.00 0.00 H new ATOM 0 HA VAL A 48 2.666 -4.024 -15.147 1.00 0.00 H new ATOM 0 HB VAL A 48 2.071 -3.811 -12.157 1.00 0.00 H new ATOM 0 HG11 VAL A 48 3.764 -2.058 -12.250 1.00 0.00 H new ATOM 0 HG12 VAL A 48 4.434 -3.614 -12.795 1.00 0.00 H new ATOM 0 HG13 VAL A 48 4.004 -2.365 -13.987 1.00 0.00 H new ATOM 0 HG21 VAL A 48 1.343 -1.518 -12.742 1.00 0.00 H new ATOM 0 HG22 VAL A 48 1.623 -1.864 -14.466 1.00 0.00 H new ATOM 0 HG23 VAL A 48 0.340 -2.725 -13.583 1.00 0.00 H new ATOM 748 N ARG A 49 2.893 -6.209 -12.724 1.00 0.00 N ATOM 749 CA ARG A 49 3.656 -7.363 -12.299 1.00 0.00 C ATOM 750 C ARG A 49 3.813 -8.335 -13.470 1.00 0.00 C ATOM 751 O ARG A 49 4.862 -8.956 -13.644 1.00 0.00 O ATOM 752 CB ARG A 49 2.958 -8.056 -11.122 1.00 0.00 C ATOM 753 CG ARG A 49 3.996 -8.605 -10.143 1.00 0.00 C ATOM 754 CD ARG A 49 3.416 -8.581 -8.728 1.00 0.00 C ATOM 755 NE ARG A 49 4.335 -7.917 -7.807 1.00 0.00 N ATOM 756 CZ ARG A 49 5.446 -8.513 -7.385 1.00 0.00 C ATOM 757 NH1 ARG A 49 5.750 -9.711 -7.806 1.00 0.00 N ATOM 758 NH2 ARG A 49 6.227 -7.892 -6.545 1.00 0.00 N ATOM 0 H ARG A 49 2.162 -5.914 -12.076 1.00 0.00 H new ATOM 0 HA ARG A 49 4.643 -7.038 -11.972 1.00 0.00 H new ATOM 0 HB2 ARG A 49 2.303 -7.350 -10.611 1.00 0.00 H new ATOM 0 HB3 ARG A 49 2.329 -8.867 -11.489 1.00 0.00 H new ATOM 0 HG2 ARG A 49 4.271 -9.623 -10.419 1.00 0.00 H new ATOM 0 HG3 ARG A 49 4.906 -8.007 -10.186 1.00 0.00 H new ATOM 0 HD2 ARG A 49 2.457 -8.062 -8.731 1.00 0.00 H new ATOM 0 HD3 ARG A 49 3.226 -9.600 -8.390 1.00 0.00 H new ATOM 0 HE ARG A 49 4.120 -6.975 -7.480 1.00 0.00 H new ATOM 0 HH11 ARG A 49 5.134 -10.193 -8.461 1.00 0.00 H new ATOM 0 HH12 ARG A 49 6.603 -10.165 -7.480 1.00 0.00 H new ATOM 0 HH21 ARG A 49 5.983 -6.957 -6.218 1.00 0.00 H new ATOM 0 HH22 ARG A 49 7.081 -8.341 -6.216 1.00 0.00 H new ATOM 772 N ALA A 50 2.766 -8.438 -14.278 1.00 0.00 N ATOM 773 CA ALA A 50 2.792 -9.308 -15.445 1.00 0.00 C ATOM 774 C ALA A 50 3.554 -8.623 -16.566 1.00 0.00 C ATOM 775 O ALA A 50 4.400 -9.230 -17.222 1.00 0.00 O ATOM 776 CB ALA A 50 1.366 -9.598 -15.918 1.00 0.00 C ATOM 0 H ALA A 50 1.891 -7.931 -14.147 1.00 0.00 H new ATOM 0 HA ALA A 50 3.281 -10.245 -15.177 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.398 -10.250 -16.791 1.00 0.00 H new ATOM 0 HB2 ALA A 50 0.810 -10.089 -15.119 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.873 -8.662 -16.181 1.00 0.00 H new ATOM 782 N GLU A 51 3.236 -7.350 -16.773 1.00 0.00 N ATOM 783 CA GLU A 51 3.871 -6.551 -17.807 1.00 0.00 C ATOM 784 C GLU A 51 5.340 -6.831 -17.881 1.00 0.00 C ATOM 785 O GLU A 51 5.846 -7.152 -18.940 1.00 0.00 O ATOM 786 CB GLU A 51 3.686 -5.059 -17.515 1.00 0.00 C ATOM 787 CG GLU A 51 2.268 -4.633 -17.906 1.00 0.00 C ATOM 788 CD GLU A 51 2.303 -3.679 -19.102 1.00 0.00 C ATOM 789 OE1 GLU A 51 3.330 -3.594 -19.757 1.00 0.00 O ATOM 790 OE2 GLU A 51 1.296 -3.050 -19.357 1.00 0.00 O ATOM 0 H GLU A 51 2.534 -6.847 -16.230 1.00 0.00 H new ATOM 0 HA GLU A 51 3.401 -6.815 -18.754 1.00 0.00 H new ATOM 0 HB2 GLU A 51 3.858 -4.861 -16.457 1.00 0.00 H new ATOM 0 HB3 GLU A 51 4.419 -4.475 -18.072 1.00 0.00 H new ATOM 0 HG2 GLU A 51 1.673 -5.512 -18.153 1.00 0.00 H new ATOM 0 HG3 GLU A 51 1.782 -4.147 -17.060 1.00 0.00 H new ATOM 797 N LEU A 52 6.029 -6.668 -16.765 1.00 0.00 N ATOM 798 CA LEU A 52 7.465 -6.851 -16.754 1.00 0.00 C ATOM 799 C LEU A 52 7.926 -7.918 -17.737 1.00 0.00 C ATOM 800 O LEU A 52 8.338 -7.590 -18.844 1.00 0.00 O ATOM 801 CB LEU A 52 7.984 -7.181 -15.365 1.00 0.00 C ATOM 802 CG LEU A 52 8.067 -5.916 -14.509 1.00 0.00 C ATOM 803 CD1 LEU A 52 9.313 -5.135 -14.913 1.00 0.00 C ATOM 804 CD2 LEU A 52 6.835 -5.036 -14.706 1.00 0.00 C ATOM 0 H LEU A 52 5.621 -6.412 -15.866 1.00 0.00 H new ATOM 0 HA LEU A 52 7.884 -5.895 -17.069 1.00 0.00 H new ATOM 0 HB2 LEU A 52 7.326 -7.907 -14.888 1.00 0.00 H new ATOM 0 HB3 LEU A 52 8.969 -7.643 -15.439 1.00 0.00 H new ATOM 0 HG LEU A 52 8.116 -6.204 -13.459 1.00 0.00 H new ATOM 0 HD11 LEU A 52 9.386 -4.229 -14.311 1.00 0.00 H new ATOM 0 HD12 LEU A 52 10.197 -5.751 -14.750 1.00 0.00 H new ATOM 0 HD13 LEU A 52 9.248 -4.865 -15.967 1.00 0.00 H new ATOM 0 HD21 LEU A 52 6.922 -4.144 -14.085 1.00 0.00 H new ATOM 0 HD22 LEU A 52 6.761 -4.743 -15.753 1.00 0.00 H new ATOM 0 HD23 LEU A 52 5.942 -5.591 -14.420 1.00 0.00 H new ATOM 816 N ALA A 53 7.872 -9.183 -17.343 1.00 0.00 N ATOM 817 CA ALA A 53 8.321 -10.264 -18.224 1.00 0.00 C ATOM 818 C ALA A 53 7.968 -9.977 -19.672 1.00 0.00 C ATOM 819 O ALA A 53 8.726 -10.318 -20.572 1.00 0.00 O ATOM 820 CB ALA A 53 7.674 -11.585 -17.825 1.00 0.00 C ATOM 0 H ALA A 53 7.528 -9.488 -16.433 1.00 0.00 H new ATOM 0 HA ALA A 53 9.404 -10.332 -18.122 1.00 0.00 H new ATOM 0 HB1 ALA A 53 8.020 -12.375 -18.491 1.00 0.00 H new ATOM 0 HB2 ALA A 53 7.948 -11.829 -16.799 1.00 0.00 H new ATOM 0 HB3 ALA A 53 6.590 -11.496 -17.899 1.00 0.00 H new ATOM 826 N ARG A 54 6.827 -9.336 -19.887 1.00 0.00 N ATOM 827 CA ARG A 54 6.403 -8.998 -21.243 1.00 0.00 C ATOM 828 C ARG A 54 7.128 -7.736 -21.668 1.00 0.00 C ATOM 829 O ARG A 54 7.620 -7.616 -22.776 1.00 0.00 O ATOM 830 CB ARG A 54 4.887 -8.770 -21.287 1.00 0.00 C ATOM 831 CG ARG A 54 4.165 -9.955 -20.630 1.00 0.00 C ATOM 832 CD ARG A 54 2.790 -9.509 -20.123 1.00 0.00 C ATOM 833 NE ARG A 54 1.804 -10.564 -20.346 1.00 0.00 N ATOM 834 CZ ARG A 54 0.503 -10.295 -20.473 1.00 0.00 C ATOM 835 NH1 ARG A 54 0.078 -9.062 -20.391 1.00 0.00 N ATOM 836 NH2 ARG A 54 -0.341 -11.267 -20.680 1.00 0.00 N ATOM 0 H ARG A 54 6.184 -9.042 -19.152 1.00 0.00 H new ATOM 0 HA ARG A 54 6.643 -9.817 -21.920 1.00 0.00 H new ATOM 0 HB2 ARG A 54 4.634 -7.845 -20.769 1.00 0.00 H new ATOM 0 HB3 ARG A 54 4.556 -8.658 -22.320 1.00 0.00 H new ATOM 0 HG2 ARG A 54 4.052 -10.767 -21.348 1.00 0.00 H new ATOM 0 HG3 ARG A 54 4.760 -10.342 -19.803 1.00 0.00 H new ATOM 0 HD2 ARG A 54 2.845 -9.272 -19.061 1.00 0.00 H new ATOM 0 HD3 ARG A 54 2.482 -8.599 -20.637 1.00 0.00 H new ATOM 0 HE ARG A 54 2.119 -11.532 -20.406 1.00 0.00 H new ATOM 0 HH11 ARG A 54 0.741 -8.304 -20.230 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -0.917 -8.858 -20.488 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -0.006 -12.228 -20.744 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -1.336 -11.066 -20.778 1.00 0.00 H new ATOM 850 N PHE A 55 7.195 -6.827 -20.735 1.00 0.00 N ATOM 851 CA PHE A 55 7.857 -5.555 -20.893 1.00 0.00 C ATOM 852 C PHE A 55 9.347 -5.759 -21.131 1.00 0.00 C ATOM 853 O PHE A 55 10.032 -4.897 -21.680 1.00 0.00 O ATOM 854 CB PHE A 55 7.592 -4.776 -19.608 1.00 0.00 C ATOM 855 CG PHE A 55 8.742 -3.896 -19.230 1.00 0.00 C ATOM 856 CD1 PHE A 55 9.106 -2.852 -20.056 1.00 0.00 C ATOM 857 CD2 PHE A 55 9.440 -4.133 -18.048 1.00 0.00 C ATOM 858 CE1 PHE A 55 10.182 -2.034 -19.703 1.00 0.00 C ATOM 859 CE2 PHE A 55 10.506 -3.329 -17.688 1.00 0.00 C ATOM 860 CZ PHE A 55 10.887 -2.272 -18.519 1.00 0.00 C ATOM 0 H PHE A 55 6.778 -6.952 -19.813 1.00 0.00 H new ATOM 0 HA PHE A 55 7.481 -5.006 -21.757 1.00 0.00 H new ATOM 0 HB2 PHE A 55 6.697 -4.167 -19.733 1.00 0.00 H new ATOM 0 HB3 PHE A 55 7.391 -5.475 -18.797 1.00 0.00 H new ATOM 0 HD1 PHE A 55 8.562 -2.668 -20.971 1.00 0.00 H new ATOM 0 HD2 PHE A 55 9.146 -4.951 -17.407 1.00 0.00 H new ATOM 0 HE1 PHE A 55 10.470 -1.216 -20.346 1.00 0.00 H new ATOM 0 HE2 PHE A 55 11.041 -3.517 -16.769 1.00 0.00 H new ATOM 0 HZ PHE A 55 11.722 -1.642 -18.248 1.00 0.00 H new ATOM 870 N LEU A 56 9.839 -6.906 -20.697 1.00 0.00 N ATOM 871 CA LEU A 56 11.243 -7.232 -20.847 1.00 0.00 C ATOM 872 C LEU A 56 11.521 -7.729 -22.254 1.00 0.00 C ATOM 873 O LEU A 56 12.325 -7.144 -22.983 1.00 0.00 O ATOM 874 CB LEU A 56 11.620 -8.306 -19.821 1.00 0.00 C ATOM 875 CG LEU A 56 11.029 -7.956 -18.461 1.00 0.00 C ATOM 876 CD1 LEU A 56 11.954 -8.451 -17.369 1.00 0.00 C ATOM 877 CD2 LEU A 56 10.840 -6.445 -18.334 1.00 0.00 C ATOM 0 H LEU A 56 9.284 -7.628 -20.237 1.00 0.00 H new ATOM 0 HA LEU A 56 11.843 -6.338 -20.676 1.00 0.00 H new ATOM 0 HB2 LEU A 56 11.251 -9.278 -20.148 1.00 0.00 H new ATOM 0 HB3 LEU A 56 12.705 -8.385 -19.746 1.00 0.00 H new ATOM 0 HG LEU A 56 10.056 -8.437 -18.363 1.00 0.00 H new ATOM 0 HD11 LEU A 56 11.533 -8.202 -16.395 1.00 0.00 H new ATOM 0 HD12 LEU A 56 12.066 -9.532 -17.450 1.00 0.00 H new ATOM 0 HD13 LEU A 56 12.929 -7.976 -17.475 1.00 0.00 H new ATOM 0 HD21 LEU A 56 10.417 -6.212 -17.357 1.00 0.00 H new ATOM 0 HD22 LEU A 56 11.804 -5.948 -18.440 1.00 0.00 H new ATOM 0 HD23 LEU A 56 10.164 -6.096 -19.115 1.00 0.00 H new ATOM 889 N GLU A 57 10.849 -8.804 -22.633 1.00 0.00 N ATOM 890 CA GLU A 57 11.032 -9.373 -23.960 1.00 0.00 C ATOM 891 C GLU A 57 10.055 -8.767 -24.950 1.00 0.00 C ATOM 892 O GLU A 57 10.068 -9.119 -26.135 1.00 0.00 O ATOM 893 CB GLU A 57 10.820 -10.890 -23.938 1.00 0.00 C ATOM 894 CG GLU A 57 10.037 -11.306 -22.687 1.00 0.00 C ATOM 895 CD GLU A 57 9.659 -12.775 -22.777 1.00 0.00 C ATOM 896 OE1 GLU A 57 10.550 -13.603 -22.756 1.00 0.00 O ATOM 897 OE2 GLU A 57 8.481 -13.054 -22.873 1.00 0.00 O ATOM 0 H GLU A 57 10.176 -9.298 -22.046 1.00 0.00 H new ATOM 0 HA GLU A 57 12.053 -9.148 -24.268 1.00 0.00 H new ATOM 0 HB2 GLU A 57 10.279 -11.200 -24.832 1.00 0.00 H new ATOM 0 HB3 GLU A 57 11.784 -11.398 -23.956 1.00 0.00 H new ATOM 0 HG2 GLU A 57 10.639 -11.131 -21.796 1.00 0.00 H new ATOM 0 HG3 GLU A 57 9.139 -10.696 -22.590 1.00 0.00 H new ATOM 904 N ASN A 58 9.178 -7.894 -24.478 1.00 0.00 N ATOM 905 CA ASN A 58 8.190 -7.314 -25.379 1.00 0.00 C ATOM 906 C ASN A 58 7.639 -5.982 -24.881 1.00 0.00 C ATOM 907 O ASN A 58 6.423 -5.793 -24.829 1.00 0.00 O ATOM 908 CB ASN A 58 7.031 -8.294 -25.551 1.00 0.00 C ATOM 909 CG ASN A 58 6.628 -8.386 -27.017 1.00 0.00 C ATOM 910 OD1 ASN A 58 5.490 -8.073 -27.375 1.00 0.00 O ATOM 911 ND2 ASN A 58 7.492 -8.800 -27.896 1.00 0.00 N ATOM 0 H ASN A 58 9.127 -7.578 -23.509 1.00 0.00 H new ATOM 0 HA ASN A 58 8.694 -7.125 -26.327 1.00 0.00 H new ATOM 0 HB2 ASN A 58 7.321 -9.279 -25.184 1.00 0.00 H new ATOM 0 HB3 ASN A 58 6.180 -7.969 -24.953 1.00 0.00 H new ATOM 0 HD21 ASN A 58 7.228 -8.865 -28.879 1.00 0.00 H new ATOM 0 HD22 ASN A 58 8.434 -9.059 -27.602 1.00 0.00 H new ATOM 918 N PRO A 59 8.487 -5.051 -24.544 1.00 0.00 N ATOM 919 CA PRO A 59 8.042 -3.713 -24.083 1.00 0.00 C ATOM 920 C PRO A 59 7.269 -3.003 -25.183 1.00 0.00 C ATOM 921 O PRO A 59 6.702 -3.647 -26.070 1.00 0.00 O ATOM 922 CB PRO A 59 9.344 -2.958 -23.764 1.00 0.00 C ATOM 923 CG PRO A 59 10.432 -3.722 -24.450 1.00 0.00 C ATOM 924 CD PRO A 59 9.944 -5.169 -24.551 1.00 0.00 C ATOM 0 HA PRO A 59 7.377 -3.771 -23.221 1.00 0.00 H new ATOM 0 HB2 PRO A 59 9.299 -1.930 -24.125 1.00 0.00 H new ATOM 0 HB3 PRO A 59 9.516 -2.911 -22.689 1.00 0.00 H new ATOM 0 HG2 PRO A 59 10.633 -3.310 -25.439 1.00 0.00 H new ATOM 0 HG3 PRO A 59 11.363 -3.664 -23.886 1.00 0.00 H new ATOM 0 HD2 PRO A 59 10.301 -5.648 -25.462 1.00 0.00 H new ATOM 0 HD3 PRO A 59 10.300 -5.770 -23.714 1.00 0.00 H new ATOM 932 N ALA A 60 7.265 -1.681 -25.142 1.00 0.00 N ATOM 933 CA ALA A 60 6.577 -0.911 -26.163 1.00 0.00 C ATOM 934 C ALA A 60 5.067 -1.060 -26.012 1.00 0.00 C ATOM 935 O ALA A 60 4.349 -0.067 -25.887 1.00 0.00 O ATOM 936 CB ALA A 60 7.027 -1.406 -27.539 1.00 0.00 C ATOM 0 H ALA A 60 7.725 -1.124 -24.421 1.00 0.00 H new ATOM 0 HA ALA A 60 6.824 0.145 -26.055 1.00 0.00 H new ATOM 0 HB1 ALA A 60 6.517 -0.836 -28.315 1.00 0.00 H new ATOM 0 HB2 ALA A 60 8.104 -1.273 -27.639 1.00 0.00 H new ATOM 0 HB3 ALA A 60 6.780 -2.463 -27.644 1.00 0.00 H new ATOM 942 N ASP A 61 4.597 -2.301 -26.012 1.00 0.00 N ATOM 943 CA ASP A 61 3.173 -2.578 -25.860 1.00 0.00 C ATOM 944 C ASP A 61 2.964 -3.662 -24.810 1.00 0.00 C ATOM 945 O ASP A 61 3.844 -3.909 -23.986 1.00 0.00 O ATOM 946 CB ASP A 61 2.573 -3.027 -27.194 1.00 0.00 C ATOM 947 CG ASP A 61 1.111 -2.625 -27.260 1.00 0.00 C ATOM 948 OD1 ASP A 61 0.281 -3.411 -26.838 1.00 0.00 O ATOM 949 OD2 ASP A 61 0.836 -1.532 -27.723 1.00 0.00 O ATOM 0 H ASP A 61 5.180 -3.132 -26.115 1.00 0.00 H new ATOM 0 HA ASP A 61 2.672 -1.665 -25.539 1.00 0.00 H new ATOM 0 HB2 ASP A 61 3.122 -2.576 -28.021 1.00 0.00 H new ATOM 0 HB3 ASP A 61 2.668 -4.108 -27.301 1.00 0.00 H new ATOM 954 N LEU A 62 1.805 -4.309 -24.847 1.00 0.00 N ATOM 955 CA LEU A 62 1.504 -5.369 -23.897 1.00 0.00 C ATOM 956 C LEU A 62 1.129 -6.645 -24.638 1.00 0.00 C ATOM 957 O LEU A 62 0.231 -6.639 -25.481 1.00 0.00 O ATOM 958 CB LEU A 62 0.354 -4.951 -22.977 1.00 0.00 C ATOM 959 CG LEU A 62 0.281 -5.907 -21.782 1.00 0.00 C ATOM 960 CD1 LEU A 62 1.632 -5.938 -21.073 1.00 0.00 C ATOM 961 CD2 LEU A 62 -0.782 -5.423 -20.800 1.00 0.00 C ATOM 0 H LEU A 62 1.063 -4.119 -25.521 1.00 0.00 H new ATOM 0 HA LEU A 62 2.392 -5.553 -23.292 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.505 -3.929 -22.630 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.588 -4.965 -23.525 1.00 0.00 H new ATOM 0 HG LEU A 62 0.025 -6.905 -22.138 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.581 -6.618 -20.223 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.399 -6.282 -21.767 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.882 -4.937 -20.722 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.831 -6.105 -19.951 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.524 -4.424 -20.448 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.751 -5.393 -21.298 1.00 0.00 H new ATOM 973 N ASP A 63 1.822 -7.735 -24.320 1.00 0.00 N ATOM 974 CA ASP A 63 1.556 -9.020 -24.959 1.00 0.00 C ATOM 975 C ASP A 63 0.981 -10.003 -23.944 1.00 0.00 C ATOM 976 O ASP A 63 1.755 -10.635 -23.253 1.00 0.00 O ATOM 977 CB ASP A 63 2.849 -9.587 -25.565 1.00 0.00 C ATOM 978 CG ASP A 63 2.561 -10.808 -26.440 1.00 0.00 C ATOM 979 OD1 ASP A 63 1.421 -11.235 -26.497 1.00 0.00 O ATOM 980 OD2 ASP A 63 3.496 -11.307 -27.038 1.00 0.00 O ATOM 0 H ASP A 63 2.569 -7.754 -23.626 1.00 0.00 H new ATOM 0 HA ASP A 63 0.828 -8.870 -25.756 1.00 0.00 H new ATOM 0 HB2 ASP A 63 3.342 -8.818 -26.160 1.00 0.00 H new ATOM 0 HB3 ASP A 63 3.538 -9.863 -24.766 1.00 0.00 H new TER 985 ASP A 63